SCHEMBL7971804

SCHEMBL7971804

COc1cc(C(=O)N(C)CC(CCN2CCC(=C(c3ccccc3)c3ccccc3)CC2)c2ccc(Cl)c(Cl)c2)cc(OC)c1OC

nearest known ligand 0.65

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TACR2 P21452 17/20 0.65
TACR1 P25103 2/20 0.59

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
SCHEMBL7967197 0.91 TACR2 (0.50) TACR2TACR1
SCHEMBL7964701 0.90 TACR2 (0.79) TACR2TACR1
SCHEMBL9008733 0.82 TACR2 (0.83) TACR2TACR1
SCHEMBL7503203 0.79 TACR2 (0.57) TACR2
SCHEMBL9407314 0.79 TACR2 (0.74) TACR2
SCHEMBL6595201 0.79 TACR2 (0.50) TACR2TACR1
Hydrochloric Acid SCHEMBL8870224 0.78 TACR2 (0.73) TACR2
SCHEMBL3086824 0.78 TACR2 (0.54) TACR2TACR1
SCHEMBL29374431 0.78 TACR2 (0.54) TACR2TACR1
SCHEMBL759334 0.78 TACR2 (0.82) TACR2TACR1

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