SCHEMBL6597488

SCHEMBL6597488

COc1cc(C(=O)N(C)CC(CCN2CCCN(c3nc4ccccc4n3Cc3ccc(CO)o3)CC2)c2ccc(C(F)(F)F)cc2)cc(OC)c1OC

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 1/20 0.37
TACR2 P21452 7/20 0.36
HTR1A P08908 3/20 0.34
TACR1 P25103 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 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
SCHEMBL6596222 0.94 TACR2 (0.36) HRH1TACR2ALDH1A1LMNAMAPT
SCHEMBL6592554 0.94 TACR2 (0.38) HRH1TACR2TACR1
SCHEMBL6597168 0.93 TACR2 (0.39) HRH1TACR2TACR1ALDH1A1LMNA
SCHEMBL8444228 0.93 TACR2 (0.36) HRH1TACR2TACR1ALDH1A1LMNA
SCHEMBL6597322 0.93 LMNA (0.41) HRH1TACR2TACR1ALDH1A1LMNA
SCHEMBL6594797 0.92 TACR2 (0.40) TACR2TACR1MAPT
SCHEMBL6592794 0.92 TACR2 (0.39) TACR2TACR1ALDH1A1LMNAMAPT
SCHEMBL6598213 0.91 HRH1 (0.41) HRH1TACR2HTR1ATACR1ALDH1A1
SCHEMBL6595657 0.91 TACR2 (0.38) TACR2TACR1ALDH1A1LMNAMAPT
SCHEMBL6597554 0.91 TACR2 (0.39) TACR2TACR1ALDH1A1LMNAMAPT

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