SCHEMBL7477166

SCHEMBL7477166

COc1ccc(C2C=NN=N2)cc1C(=O)N(C)CC(CCN1CCC(C(=O)c2nc3ccccc3n2CCCC(F)(F)F)CC1)c1ccc(F)c(F)c1

nearest known ligand 0.37

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 1/20 0.37
HRH1 P35367 16/20 0.37
TACR2 P21452 4/20 0.37
TACR1 P25103 2/20 0.37

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
SCHEMBL7471943 0.94 CCR5 (0.38) CCR5HRH1TACR2TACR1
SCHEMBL7469307 0.94 HRH1 (0.39) HRH1TACR2TACR1
SCHEMBL7472937 0.93 TACR2 (0.43) HRH1TACR2
SCHEMBL7472237 0.93 HRH1 (0.40) CCR5HRH1TACR2TACR1
SCHEMBL7472406 0.91 HRH1 (0.45) CCR5HRH1TACR2TACR1
SCHEMBL7477491 0.88 HRH1 (0.39) HRH1TACR2TACR1
SCHEMBL7478141 0.87 TACR2 (0.44) HRH1TACR2
SCHEMBL7476428 0.86 HRH1 (0.42) HRH1TACR2TACR1
SCHEMBL7467147 0.86 HRH1 (0.44) HRH1TACR2
SCHEMBL7467964 0.85 HRH1 (0.40) HRH1TACR2TACR1

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