SCHEMBL7465947

SCHEMBL7465947

COc1cc(C(=O)N(C)CC(CCN2CCC(C(=O)c3nc4ccccc4n3Cc3ccc(C)o3)CC2)c2ccc(F)cc2)cc(OC)c1OC

nearest known ligand 0.53

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 20/20 0.53
TACR1 P25103 2/20 0.51
TACR2 P21452 1/20 0.48

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
SCHEMBL7463581 0.95 HRH1 (0.50) HRH1TACR1TACR2
SCHEMBL7477029 0.91 HRH1 (0.58) HRH1TACR1TACR2
SCHEMBL7471439 0.91 HRH1 (0.49) HRH1TACR1
SCHEMBL7474396 0.89 HRH1 (0.51) HRH1TACR1
SCHEMBL8591573 0.89 HRH1 (0.42) HRH1TACR1TACR2
SCHEMBL7488403 0.89 SSTR5 (0.47) HRH1TACR1TACR2
SCHEMBL7471593 0.88 HRH1 (0.54) HRH1TACR1TACR2
SCHEMBL7476694 0.88 HRH1 (0.60) HRH1TACR1TACR2
SCHEMBL7467385 0.88 HRH1 (0.63) HRH1TACR1TACR2
SCHEMBL8595611 0.87 HRH1 (0.53) 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