SCHEMBL5779738

SCHEMBL5779738

Cc1ccccc1-c1cc(-c2ccncc2)ncc1OC(=O)N(C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.59

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 14/20 0.59
GPBAR1 Q8TDU6 6/20 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
SCHEMBL5781646 0.91 TACR1 (0.54) TACR1GPBAR1
SCHEMBL6522971 0.85 TACR1 (0.76) TACR1GPBAR1
SCHEMBL6863261 0.82 TACR1 (0.67) TACR1GPBAR1
SCHEMBL5781165 0.81 TACR1 (0.49) TACR1GPBAR1
SCHEMBL5763724 0.78 TACR1 (0.61) TACR1GPBAR1
SCHEMBL5777176 0.76 TACR1 (0.62) TACR1GPBAR1
SCHEMBL6016603 0.76 TACR1 (0.50) TACR1GPBAR1
SCHEMBL5781516 0.76 TACR1 (0.67) TACR1GPBAR1
SCHEMBL5782604 0.75 TACR1 (0.64) TACR1GPBAR1
SCHEMBL6016671 0.75 TACR1 (0.49) TACR1GPBAR1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1309559-B1 4-PHENYL-PYRIDINE DERIVATIVES AS NEUROKININ-1 RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2006-06-07 EP claimed