SCHEMBL6957515

SCHEMBL6957515

COCOc1ccc(C#N)c(F)c1

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 8/20 0.48
CYP11B2 P19099 8/20 0.48
TRPV4 Q9HBA0 8/20 0.44
MAOB P27338 1/20 0.41
XDH P47989 1/20 0.39
PLA2G7 Q13093 1/20 0.39

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
SCHEMBL11963154 0.85 CYP11B1 (0.47) CYP11B1CYP11B2TRPV4PLA2G7
SCHEMBL7323185 0.83 CYP11B1 (0.65) CYP11B1CYP11B2TRPV4MAOB
SCHEMBL19128162 0.81 TRPV4 (0.48) CYP11B1CYP11B2TRPV4MAOB
SCHEMBL2539990 0.80 CYP11B1 (0.58) CYP11B1CYP11B2TRPV4MAOB
SCHEMBL9244079 0.80 CYP11B1 (0.51) CYP11B1CYP11B2TRPV4MAOBPLA2G7
SCHEMBL13481174 0.80 CYP11B1 (0.51) CYP11B1CYP11B2TRPV4MAOBPLA2G7
SCHEMBL11963218 0.79 TRPV4 (0.48) CYP11B1CYP11B2TRPV4
SCHEMBL188561 0.78 MAOB (0.55) CYP11B1CYP11B2MAOB
SCHEMBL8123834 0.78 MAOB (0.45) MAOB
SCHEMBL31697317 0.78 MAOB (0.45) MAOB

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 9 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 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