SCHEMBL7472047

SCHEMBL7472047

COc1ccc(-n2cnnn2)cc1C(=O)N(C)CC(CCN1CCC(C(=O)c2nc3ccccc3n2CC(F)(F)F)CC1)c1ccc(F)cc1

nearest known ligand 0.43

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 18/20 0.43
TACR2 P21452 3/20 0.43
TACR1 P25103 2/20 0.43

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
SCHEMBL7466635 0.96 HRH1 (0.40) HRH1TACR2TACR1
SCHEMBL7468935 0.94 HRH1 (0.39) HRH1TACR2TACR1
SCHEMBL7465163 0.93 HRH1 (0.43) HRH1TACR2TACR1
SCHEMBL7471088 0.93 TACR2 (0.47) TACR2
SCHEMBL7476638 0.90 HRH1 (0.39) HRH1TACR2TACR1
SCHEMBL7488424 0.89 KCNH2 (0.40) HRH1TACR2TACR1
SCHEMBL7464673 0.89 HRH1 (0.42) HRH1TACR2TACR1
SCHEMBL7468192 0.89 HRH1 (0.38) HRH1TACR2TACR1
SCHEMBL7472964 0.88 HRH1 (0.41) HRH1TACR2TACR1
SCHEMBL6596468 0.87 TACR2 (0.34) 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 4 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-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