SCHEMBL7471652

SCHEMBL7471652

CN(CC(CCN1CCC(C(=O)c2nc3ccccc3n2Cc2ccccn2)CC1)c1ccc(Cl)c(Cl)c1)C(=O)c1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TACR2 P21452 20/20 0.63

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
SCHEMBL7478379 0.93 TACR2 (0.52) TACR2
SCHEMBL7472636 0.92 TACR2 (0.52) TACR2
SCHEMBL7469576 0.92 TACR2 (0.50) TACR2
SCHEMBL7477013 0.91 HRH1 (0.63) TACR2
SCHEMBL7472864 0.91 TACR2 (0.51) TACR2
SCHEMBL7469194 0.90 HRH1 (0.52) TACR2
SCHEMBL7468286 0.90 HRH1 (0.54) TACR2
SCHEMBL7464847 0.89 TACR2 (0.62) TACR2
SCHEMBL7477130 0.89 TACR2 (0.68) TACR2
SCHEMBL7469434 0.89 TACR2 (0.62) TACR2

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