SCHEMBL6862336

SCHEMBL6862336

Cc1ccccc1-c1cnc(NCCN(C)C)nc1OC(=O)N(C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.51

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 13/20 0.51
SYK P43405 1/20 0.42
GPBAR1 Q8TDU6 6/20 0.41

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 0.91 TACR1 (0.51) TACR1SYKGPBAR1
SCHEMBL6870600 0.90 CETP (0.50) TACR1SYKGPBAR1
SCHEMBL7045412 0.90 SYK (0.43) TACR1SYK
SCHEMBL6870787 0.90 GPBAR1 (0.42) TACR1SYKGPBAR1
SCHEMBL6868763 0.86 TACR1 (0.41) TACR1SYK
SCHEMBL6870660 0.85 TACR1 (0.52) TACR1GPBAR1
SCHEMBL6871260 0.84 TACR1 (0.51) TACR1GPBAR1
SCHEMBL6871449 0.82 TACR1 (0.55) TACR1GPBAR1
SCHEMBL6016480 0.82 TACR1 (0.49) TACR1SYKGPBAR1
SCHEMBL6871465 0.78 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-1187814-B1 5-PHENYL-PYRIMIDINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2004-08-18 EP claimed