SCHEMBL6869732

SCHEMBL6869732

CN(C)CCCOc1ncc(-c2ccccc2Cl)c(OC(=O)N(C)Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1

nearest known ligand 0.52

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 17/20 0.52
GPBAR1 Q8TDU6 3/20 0.42
TACR3 P29371 5/20 0.42

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
SCHEMBL6869431 0.96 TACR1 (0.52) TACR1GPBAR1TACR3
SCHEMBL6871260 0.91 TACR1 (0.51) TACR1GPBAR1
SCHEMBL7039431 0.89 TACR1 (0.41) TACR1
SCHEMBL6016667 0.89 TACR1 (0.49) TACR1GPBAR1TACR3
SCHEMBL6870660 0.87 TACR1 (0.52) TACR1GPBAR1
SCHEMBL7039564 0.85 TACR1 (0.41) TACR1
SCHEMBL6871465 0.85 TACR1 (0.49) TACR1GPBAR1TACR3
SCHEMBL6871717 0.85 TACR1 (0.46) TACR1GPBAR1TACR3
SCHEMBL6873362 0.85 TACR1 (0.51) TACR1GPBAR1TACR3
SCHEMBL6868260 0.85 GPBAR1 (0.42) TACR1GPBAR1TACR3

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-1187814-B1 5-PHENYL-PYRIMIDINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2004-08-18 EP claimed