SCHEMBL7533110

SCHEMBL7533110

COc1ccc(C(CCN2CCC(C(=O)c3nc4ccccc4[nH]3)CC2)CN(C)C(=O)c2cc(OC)c(OC)c(OC)c2)cc1

nearest known ligand 0.54

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 3/20 0.54
TACR2 P21452 16/20 0.52
DRD3 P35462 1/20 0.42

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
SCHEMBL7465535 0.95 HRH1 (0.58) HRH1TACR2
SCHEMBL7478337 0.94 HRH1 (0.55) HRH1TACR2
SCHEMBL7474305 0.94 HRH1 (0.54) HRH1TACR2
SCHEMBL7468732 0.93 HRH1 (0.53) HRH1TACR2DRD3
SCHEMBL7474401 0.93 HRH1 (0.58) HRH1TACR2
SCHEMBL7469119 0.92 HRH1 (0.53) HRH1TACR2
SCHEMBL7466765 0.91 TACR2 (0.60) HRH1TACR2
SCHEMBL7465100 0.91 HRH1 (0.53) HRH1TACR2
SCHEMBL7470145 0.91 TACR2 (0.65) HRH1TACR2
SCHEMBL7470263 0.90 HRH1 (0.54) 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