SCHEMBL6609161

SCHEMBL6609161

CCOC(=O)Cn1c(N2CCCN(CCC(CN(C)C(=O)c3cc(OC)c(OC)c(OC)c3)c3ccccc3)CC2)nc2ccccc21

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TACR2 P21452 4/20 0.40
LMNA P02545 2/20 0.40
MAPT P10636 2/20 0.40
ALDH1A1 P00352 1/20 0.40
MEN1 O00255 1/20 0.40
BLM P54132 1/20 0.40
KMT2A Q03164 1/20 0.40
TSHR P16473 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
ABCC1 P33527 1/20 0.38

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
SCHEMBL6607357 0.95 LMNA (0.46) TACR2LMNAMAPTALDH1A1MEN1
SCHEMBL6600856 0.95 TACR2 (0.39) TACR2LMNAMAPTALDH1A1MEN1
SCHEMBL6604524 0.94 TACR2 (0.41) TACR2LMNAMAPTALDH1A1
SCHEMBL6606584 0.93 TACR2 (0.51) TACR2
SCHEMBL6605217 0.91 TACR2 (0.47) TACR2LMNAMAPTMEN1BLM
SCHEMBL6596753 0.91 HRH1 (0.44)
SCHEMBL6596687 0.90 TACR2 (0.43) TACR2LMNAMAPTALDH1A1ABCC1
SCHEMBL6596448 0.89 TACR2 (0.41) TACR2LMNAMAPTALDH1A1
SCHEMBL6599093 0.89 TACR2 (0.46) TACR2TSHR
SCHEMBL6596920 0.88 TACR2 (0.40) TACR2LMNAMAPTALDH1A1ABCC1

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