SCHEMBL6597240

SCHEMBL6597240

COc1cc(C(=O)N(C)CC(CCN2CCCN(c3nc4ccccc4n3Cc3ccco3)CC2)c2ccncc2)cc(OC)c1OC

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 4/20 0.42
TACR2 P21452 4/20 0.37
ALDH1A1 P00352 4/20 0.35
MAPT P10636 4/20 0.35
LMNA P02545 2/20 0.35
MEN1 O00255 2/20 0.35
GAA P10253 2/20 0.35
HTT P42858 2/20 0.35
KMT2A Q03164 2/20 0.35
TSHR P16473 1/20 0.35
TACR1 P25103 1/20 0.34
KDM4E B2RXH2 1/20 0.34
GLA P06280 1/20 0.34
HPGD P15428 1/20 0.34
RCE1 Q9Y256 1/20 0.34
SLC29A1 Q99808 1/20 0.34

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
SCHEMBL6594153 0.96 HRH1 (0.45) HRH1TACR2ALDH1A1MAPTLMNA
SCHEMBL6595781 0.94 HRH1 (0.42) HRH1TACR2ALDH1A1MAPTLMNA
SCHEMBL8446106 0.93 HRH1 (0.41) HRH1TACR2ALDH1A1MAPTLMNA
SCHEMBL6596301 0.93 HRH1 (0.42) HRH1TACR2ALDH1A1MAPTMEN1
SCHEMBL6596435 0.93 HRH1 (0.43) HRH1TACR2MAPTMEN1GAA
SCHEMBL6598213 0.93 HRH1 (0.41) HRH1TACR2ALDH1A1MAPTLMNA
SCHEMBL6596376 0.93 HRH1 (0.42) HRH1TACR2ALDH1A1MAPTLMNA
SCHEMBL6599750 0.92 HRH1 (0.42) HRH1TACR2ALDH1A1MAPTLMNA
SCHEMBL6595348 0.92 HRH1 (0.42) HRH1TACR2ALDH1A1MAPTLMNA
SCHEMBL6596218 0.92 HRH1 (0.42) HRH1TACR2ALDH1A1MAPTLMNA

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 1 patent. 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