SCHEMBL5778600

SCHEMBL5778600

COC(=O)Oc1cc(-c2ccccc2C)c(C(=O)N(C)Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cn1

nearest known ligand 0.65

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 17/20 0.65
GPBAR1 Q8TDU6 3/20 0.52

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
SCHEMBL5780494 0.86 TACR1 (0.66) TACR1GPBAR1
SCHEMBL5777590 0.86 TACR1 (0.68) TACR1GPBAR1
SCHEMBL5778072 0.86 TACR1 (0.65) TACR1GPBAR1
SCHEMBL5779692 0.84 TACR1 (0.73) TACR1GPBAR1
SCHEMBL5759212 0.83 TACR1 (0.72) TACR1GPBAR1
SCHEMBL5781114 0.83 TACR1 (0.72) TACR1GPBAR1
SCHEMBL5779671 0.83 TACR1 (0.66) TACR1GPBAR1
SCHEMBL5780298 0.82 TACR1 (0.71) TACR1GPBAR1
SCHEMBL5784269 0.82 TACR1 (0.71) TACR1GPBAR1
SCHEMBL5782032 0.82 TACR1 (0.67) 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