SCHEMBL6016480

SCHEMBL6016480

CN(C)CCNc1ncc(OC(=O)N(C)Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c(-c2ccccc2Cl)n1

nearest known ligand 0.49

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 16/20 0.49
SYK P43405 1/20 0.42
TACR3 P29371 4/20 0.41
GPBAR1 Q8TDU6 2/20 0.39
LIPE Q05469 1/20 0.39

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
SCHEMBL6873362 0.89 TACR1 (0.51) TACR1SYKTACR3GPBAR1
SCHEMBL6016707 0.86 TACR1 (0.50) TACR1TACR3GPBAR1
SCHEMBL6016667 0.85 TACR1 (0.49) TACR1TACR3GPBAR1LIPE
SCHEMBL6870600 0.82 CETP (0.50) TACR1SYKGPBAR1
SCHEMBL6862336 0.82 TACR1 (0.51) TACR1SYKGPBAR1
SCHEMBL7045412 0.81 SYK (0.43) TACR1SYKLIPE
SCHEMBL6016586 0.79 TACR1 (0.64) TACR1
SCHEMBL6871465 0.78 TACR1 (0.49) TACR1TACR3GPBAR1
SCHEMBL6016479 0.78 TACR1 (0.53) TACR1
SCHEMBL6016604 0.78 TACR1 (0.53) TACR1TACR3

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-1187815-B1 4-PHENYL-PYRIMIDINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2006-02-08 EP claimed