SCHEMBL7476428

SCHEMBL7476428

COc1ccc(C2C=NN=N2)cc1C(=O)N(C)CC(CCN1CCC(C(=O)c2nc3ccccc3n2CCOCC(F)(F)F)CC1)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 20/20 0.42
TACR1 P25103 2/20 0.37
TACR2 P21452 1/20 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
SCHEMBL7467964 0.95 HRH1 (0.40) HRH1TACR1TACR2
SCHEMBL7472237 0.94 HRH1 (0.40) HRH1TACR1TACR2
SCHEMBL7470419 0.94 HRH1 (0.48) HRH1TACR1TACR2
SCHEMBL7467147 0.94 HRH1 (0.44) HRH1TACR2
SCHEMBL7477491 0.93 HRH1 (0.39) HRH1TACR1TACR2
SCHEMBL7469307 0.92 HRH1 (0.39) HRH1TACR1TACR2
SCHEMBL7467466 0.89 HRH1 (0.45) HRH1TACR1TACR2
SCHEMBL7472406 0.89 HRH1 (0.45) HRH1TACR1TACR2
SCHEMBL7472253 0.87 HRH1 (0.50) HRH1TACR2
SCHEMBL7471943 0.87 CCR5 (0.38) HRH1TACR1TACR2

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 3 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