SCHEMBL7477722

SCHEMBL7477722

COc1ccc(-n2cnnn2)cc1C(=O)N(C)CC(CCN1CCC(C(=O)c2nc3ccccc3n2CCOCC(F)(F)F)CC1)c1ccc(Cl)c(Cl)c1

nearest known ligand 0.45

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TACR2 P21452 18/20 0.45
HRH1 P35367 2/20 0.44

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
SCHEMBL7471584 0.94 HRH1 (0.50) TACR2HRH1
SCHEMBL7464673 0.94 HRH1 (0.42) TACR2HRH1
SCHEMBL7472964 0.93 HRH1 (0.41) TACR2HRH1
SCHEMBL7465163 0.93 HRH1 (0.43) TACR2HRH1
SCHEMBL7471088 0.93 TACR2 (0.47) TACR2
SCHEMBL7472658 0.93 TACR2 (0.46) TACR2HRH1
SCHEMBL7466767 0.92 HRH1 (0.41) TACR2HRH1
SCHEMBL7494043 0.90 TACR2 (0.45) TACR2
SCHEMBL7471690 0.89 TACR2 (0.47) TACR2
SCHEMBL7471757 0.88 TACR2 (0.47) 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