SCHEMBL7967197

SCHEMBL7967197

COc1cc(C(=O)N(C)CC(CCN2CCC(=C(c3ccccc3)c3ccccc3)CC2)c2ccccc2)cc(OC)c1OC

nearest known ligand 0.50

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TACR2 P21452 17/20 0.50
TACR1 P25103 2/20 0.46

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
SCHEMBL7971804 0.91 TACR2 (0.65) TACR2TACR1
SCHEMBL6594371 0.80 ACKR3 (0.45) TACR1
SCHEMBL6599093 0.79 TACR2 (0.46) TACR2TACR1
SCHEMBL7964701 0.79 TACR2 (0.79) TACR2TACR1
SCHEMBL7499554 0.78 TACR2 (0.47) TACR2
SCHEMBL6596687 0.76 TACR2 (0.43) TACR2TACR1
SCHEMBL6597155 0.76 MAPK1 (0.42) TACR1
SCHEMBL7465535 0.76 HRH1 (0.58) TACR2
SCHEMBL6594871 0.76 TACR2 (0.49) TACR2TACR1
SCHEMBL7500102 0.75 TACR2 (0.53) TACR2

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
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