SCHEMBL7471197

SCHEMBL7471197

COc1cc(C(=O)N(C)CC(CCN2CCC(C(=O)c3nc4ccccc4n3CCCOc3ccc(F)cc3)CC2)c2cccc(Cl)c2)cc(OC)c1OC

nearest known ligand 0.49

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 20/20 0.49
TACR1 P25103 2/20 0.47
TACR2 P21452 1/20 0.47

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
SCHEMBL7474421 0.94 HRH1 (0.52) HRH1TACR1TACR2
SCHEMBL7491746 0.89 KCNH2 (0.45) HRH1TACR1TACR2
SCHEMBL7464918 0.89 HRH1 (0.58) HRH1TACR2
SCHEMBL7473738 0.88 HRH1 (0.47) HRH1TACR2
SCHEMBL7472517 0.87 HRH1 (0.52) HRH1
SCHEMBL7468505 0.87 TACR2 (0.47) HRH1TACR2
SCHEMBL7473947 0.86 HRH1 (0.58) HRH1TACR1
SCHEMBL7473282 0.85 TACR2 (0.59) TACR2
SCHEMBL7472794 0.85 HRH1 (0.60) HRH1TACR1TACR2
SCHEMBL7470780 0.85 HRH1 (0.47) 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