SCHEMBL6596830

SCHEMBL6596830

CCS(=O)(=O)CCn1c(N2CCCN(CCC(CN(C)C(=O)c3cc(OC)c(OC)c(OC)c3)c3ccc(OC)cc3)CC2)nc2ccccc21

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.44
MAPT P10636 2/20 0.44
ALDH1A1 P00352 1/20 0.44
TSHR P16473 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
TACR2 P21452 6/20 0.39
TACR1 P25103 1/20 0.36

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
SCHEMBL6596920 0.95 TACR2 (0.40) LMNAMAPTALDH1A1TACR2
SCHEMBL6599189 0.93 LMNA (0.41) LMNAMAPTALDH1A1TSHRTDP1
SCHEMBL6597644 0.91 LMNA (0.45) LMNAMAPTALDH1A1TSHRTDP1
SCHEMBL6598857 0.91 ALDH1A1 (0.45) LMNAMAPTALDH1A1
SCHEMBL6600743 0.91 CCR5 (0.42) TACR2
SCHEMBL6594461 0.90 TACR2 (0.41) LMNAMAPTALDH1A1TACR2TACR1
SCHEMBL6595395 0.89 TACR2 (0.44) LMNAMAPTALDH1A1TSHRTDP1
SCHEMBL6596004 0.89 LMNA (0.43) LMNAMAPTALDH1A1TSHRTDP1
SCHEMBL6597720 0.89 TACR2 (0.39) LMNAMAPTALDH1A1TACR2TACR1
SCHEMBL6607357 0.89 LMNA (0.46) LMNAMAPTALDH1A1TSHRTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0888338-B1 NOVEL SUBSTITUTED N-METHYL-N-(4-(4-(1H-BENZIMIDAZOL-2-YL) 1,4]DIAZEPAN-1-YL)-2-(ARYL)BUTYL)BENZAMIDES USEFUL FOR THE TREATMENT OF ALLERGIC DISEASES AVENTIS PHARMA INC (US) 2004-11-17 EP disclosed
EP-0888338-A1 NOVEL SUBSTITUTED N-METHYL-N-(4-(4-(1H-BENZIMIDAZOL-2-YL) 1,4]DIAZEPAN-1-YL)-2-(ARYL)BUTYL)BENZAMIDES USEFUL FOR THE TREATMENT OF ALLERGIC DISEASES HOECHST MARION ROUSSEL, INC. (US) 1999-01-07 EP disclosed
WO-1997030991-A1 NOVEL SUBSTITUTED N-METHYL-N-(4-(4-(1H-BENZIMIDAZOL-2-YL)[1,4]DIAZEPAN-1-YL)-2-(ARYL)BUTYL)BENZAMIDES USEFUL FOR THE TREATMENT OF ALLERGIC DISEASES HOECHST MARION ROUSSEL, INC. (US) 1997-08-28 WO disclosed