SCHEMBL3505069

SCHEMBL3505069

CNC(=O)Oc1ccc2c(NCCCN3CCOCC3)noc2c1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.45
▸ TDP1 Q9NUW8 1/20 0.45
▸ ALDH1A1 P00352 3/20 0.45
▸ KDM4E B2RXH2 3/20 0.45
▸ HSD17B10 Q99714 2/20 0.45
▸ LMNA P02545 1/20 0.45
▸ HPGD P15428 1/20 0.45
▸ ACHE P22303 1/20 0.43
▸ KMT2A Q03164 3/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ RAD52 P43351 1/20 0.42
▸ DRD3 P35462 1/20 0.42
▸ NPC1 O15118 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ FLT3 P36888 2/20 0.41
▸ HTT P42858 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL3504318 0.94 ACHE (0.41) GAATDP1ALDH1A1KDM4EHSD17B10
SCHEMBL6951018 0.90 HRH3 (0.45) GAATDP1ALDH1A1KDM4EHSD17B10
SCHEMBL3503323 0.87 HSP90AA1 (0.45) GAATDP1ALDH1A1KDM4EHSD17B10
SCHEMBL6956983 0.86 POLB (0.52) GAATDP1KDM4ELMNAACHE
SCHEMBL3504561 0.82 ALDH1A1 (0.46) GAATDP1ALDH1A1KDM4EHSD17B10
SCHEMBL6959886 0.81 ALDH1A1 (0.53) ALDH1A1KDM4EHSD17B10LMNAHPGD
SCHEMBL3504380 0.80 ALDH1A1 (0.48) GAAALDH1A1KDM4EHSD17B10LMNA
SCHEMBL3505067 0.79 ACHE (0.40) GAATDP1ALDH1A1KDM4EHSD17B10
SCHEMBL3507456 0.78 EPHX2 (0.41) GAATDP1ALDH1A1KDM4EHSD17B10
SCHEMBL3508765 0.77 ALDH1A1 (0.43) GAAALDH1A1KDM4ELMNAKMT2A

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5494908-A ANTIDEPRESSANT HOECHST-ROUSSEL PHARMACEUTICAL INCORPORATED (US) 1996-02-27 — — US claimed
US-20100247543-A1 TREATMENT AND PREVENTION OF NEURODEGENERATIVE DISEASES ORYZON GENOMICS, S.A. (ES) 2010-09-30 — — US disclosed
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-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
WO-1994012495-A1 SUBSTITUTED 3-(AMINOALKYLAMINO)-1,2-BENZISOXAZOLES AND RELATED COMPOUNDS HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1994-06-09 — — WO disclosed
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