SCHEMBL7471722

SCHEMBL7471722

COc1cc(C(=O)N(C)CC(CCN2CCC(C(=O)c3nc4ccccc4n3CCN3CCOCC3)CC2)c2ccc(Cl)c(Cl)c2)cc(OC)c1OC

nearest known ligand 0.62

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 6/20 0.62
TACR2 P21452 14/20 0.53

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
SCHEMBL7464691 0.93 TACR2 (0.55) HRH1TACR2
SCHEMBL7464461 0.92 HRH1 (0.63) HRH1TACR2
SCHEMBL7472802 0.90 HRH1 (0.59) HRH1TACR2
SCHEMBL8596318 0.90 HRH1 (0.51) HRH1TACR2
SCHEMBL7954362 0.90 TACR2 (0.53) HRH1TACR2
SCHEMBL7473923 0.90 HRH1 (0.58) HRH1TACR2
SCHEMBL7472958 0.89 TACR2 (0.50) HRH1TACR2
SCHEMBL7470053 0.89 HRH1 (0.52) HRH1TACR2
SCHEMBL7470451 0.89 HRH1 (0.56) HRH1TACR2
SCHEMBL7477013 0.89 HRH1 (0.63) HRH1TACR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0882038-B1 SUBSTITUTED N-METHYL-N-(4-(PIPERIDIN-1-YL)-2-(ARYL)BUTYL)BENZAMIDES USEFUL FOR THE TREATMENT OF ALLERGIC DISEASES AVENTIS PHARMA INC (US) 2002-12-18 EP disclosed
US-6297259-B1 HISTAMINE RECEPTOR ANTAGONISTS AND TACHYKININ RECEPTOR ANTAGONISTS. AVENTIS PHARMACEUTICALS INC. 2001-10-02 US disclosed
US-5998439-A RESPIRATORY SYSTEM DISORDERS Hoescht Marion Roussel, Inc. (US) 1999-12-07 US disclosed
EP-0882038-A1 NOVEL SUBSTITUTED N-METHYL-N-(4-(PIPERIDIN-1-YL)-2-(ARYL)BUTYL)BENZAMIDES USEFUL FOR THE TREATMENT OF ALLERGIC DISEASES HOECHST MARION ROUSSEL, INC. (US) 1998-12-09 EP disclosed
WO-1997030990-A1 NOVEL SUBSTITUTED N-METHYL-N-(4-(PIPERIDIN-1-YL)-2-(ARYL)BUTYL)BENZAMIDES USEFUL FOR THE TREATMENT OF ALLERGIC DISEASES HOECHST MARION ROUSSEL, INC. (US) 1997-08-28 WO disclosed