SCHEMBL1388451

SCHEMBL1388451

CCCCC(CC)NC([O])=O

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA2 P00918 9/20 0.44
CA1 P00915 6/20 0.44
MAPK1 P28482 1/20 0.43
PLA2G2C Q5R387 2/20 0.43
DPP8 Q6V1X1 3/20 0.40
DPP7 Q9UHL4 3/20 0.40
DPP4 P27487 2/20 0.40
DPP9 Q86TI2 2/20 0.40
CTSK P43235 1/20 0.39
CA12 O43570 1/20 0.38
MMP1 P03956 1/20 0.38
MMP2 P08253 1/20 0.38
MMP8 P22894 1/20 0.38
CA9 Q16790 1/20 0.38
ALDH1A1 P00352 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6717836 0.86 TAS1R3 (0.46) CA2CA1CA12MMP1MMP2
SCHEMBL1388452 0.83 CA2 (0.48) CA2CA1MAPK1PLA2G2CDPP8
SCHEMBL13715798 0.83 PLA2G2C (0.59) CA2CA1MAPK1PLA2G2C
SCHEMBL4722812 0.81
Hydrochloric Acid SCHEMBL10822847 0.81 CA2 (0.47) CA2CA1MAPK1PLA2G2CDPP8
SCHEMBL10822844 0.81 CA2 (0.42) CA2CA1MAPK1PLA2G2CDPP8
SCHEMBL19867076 0.79 HDAC8 (0.52) CA2CA1MAPK1PLA2G2CDPP8
SCHEMBL25729370 0.79 CA2 (0.41) CA2CA1MAPK1PLA2G2CDPP8
SCHEMBL25732354 0.79 CA2 (0.66) CA2CA1MAPK1ALDH1A1
SCHEMBL24124963 0.78 CA2 (0.53) CA2CA1MAPK1PLA2G2CDPP8

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0669920-B1 SUBSTITUTED 3-(AMINOALKYLAMINO)-1,2-BENZISOXAZOLES AND RELATED COMPOUNDS AVENTIS PHARMA INC (US) 2003-02-12 EP claimed
US-6046203-A USEFUL FOR THE TREATMENT OF VARIOUS MEMORY DYSFUNCTIONS CHARACTERIZED BY A DECREASED CHOLINERGIC FUNCTION SUCH AS ALZHEIMER'S DISEASE; ALSO INHIBIT MONOAMINE OXIDASE AND HENCE ARE USEFUL AS ANTIDEPRESSANTS AVENTIS PHARMACEUTICALS INC. (US) 2000-04-04 US claimed
US-5925766-A COGNITION ACTIVATORS FOR DECREASING CHOLINERGIC FUNCTION OF ALZHEIMER*S DISEASE AND ARE ENZYME INHIBITORS OF MONOAMINE OXIDASE AND ARE ANTIDEPRESSANTS HOECHST MARION ROUSSEL, INC. (US) 1999-07-20 US claimed
US-5580982-A ANTIDEPRESSANTS; ANTICHOLINERGIC AGENTS; ALZHEIMER'S DISEASE; AMINE OXIDASE INHIBITORS HOECHST MARION ROUSSEL INC. (US) 1996-12-03 US claimed
JP-H08506094-A 1996-07-02 JP claimed
US-5494908-A ANTIDEPRESSANT HOECHST-ROUSSEL PHARMACEUTICAL INCORPORATED (US) 1996-02-27 US claimed
EP-0669920-A4 SUBSTITUTED 3-(AMINOALKYLAMINO)-1,2-BENZISOXAZOLES AND RELATED COMPOUNDS. HOECHST ROUSSEL PHARMA (US) 1995-10-25 EP claimed
EP-0669920-A1 SUBSTITUTED 3-(AMINOALKYLAMINO)-1,2-BENZISOXAZOLES AND RELATED COMPOUNDS HOECHST MARION ROUSSEL, Inc. (US) 1995-09-06 EP claimed
WO-1994012495-A1 SUBSTITUTED 3-(AMINOALKYLAMINO)-1,2-BENZISOXAZOLES AND RELATED COMPOUNDS HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1994-06-09 WO claimed
EP-0669920-B1 SUBSTITUTED 3-(AMINOALKYLAMINO)-1,2-BENZISOXAZOLES AND RELATED COMPOUNDS AVENTIS PHARMA INC (US) 2003-02-12 EP disclosed
US-6046203-A USEFUL FOR THE TREATMENT OF VARIOUS MEMORY DYSFUNCTIONS CHARACTERIZED BY A DECREASED CHOLINERGIC FUNCTION SUCH AS ALZHEIMER'S DISEASE; ALSO INHIBIT MONOAMINE OXIDASE AND HENCE ARE USEFUL AS ANTIDEPRESSANTS AVENTIS PHARMACEUTICALS INC. (US) 2000-04-04 US disclosed
US-5925766-A COGNITION ACTIVATORS FOR DECREASING CHOLINERGIC FUNCTION OF ALZHEIMER*S DISEASE AND ARE ENZYME INHIBITORS OF MONOAMINE OXIDASE AND ARE ANTIDEPRESSANTS HOECHST MARION ROUSSEL, INC. (US) 1999-07-20 US disclosed
US-5756754-A Substituted 3-(aminoalkylamino)-1,2-benzisoxazoles and related compounds HOECHST MARION ROUSSEL, INC. (US) 1998-05-26 US disclosed
US-5580982-A ANTIDEPRESSANTS; ANTICHOLINERGIC AGENTS; ALZHEIMER'S DISEASE; AMINE OXIDASE INHIBITORS HOECHST MARION ROUSSEL INC. (US) 1996-12-03 US disclosed
US-5494908-A ANTIDEPRESSANT HOECHST-ROUSSEL PHARMACEUTICAL INCORPORATED (US) 1996-02-27 US disclosed
EP-0669920-A4 SUBSTITUTED 3-(AMINOALKYLAMINO)-1,2-BENZISOXAZOLES AND RELATED COMPOUNDS. HOECHST ROUSSEL PHARMA (US) 1995-10-25 EP disclosed
EP-0669920-A1 SUBSTITUTED 3-(AMINOALKYLAMINO)-1,2-BENZISOXAZOLES AND RELATED COMPOUNDS HOECHST MARION ROUSSEL, Inc. (US) 1995-09-06 EP disclosed
WO-1994012495-A1 SUBSTITUTED 3-(AMINOALKYLAMINO)-1,2-BENZISOXAZOLES AND RELATED COMPOUNDS HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1994-06-09 WO disclosed