SCHEMBL9766643

SCHEMBL9766643

CCCc1ccc(-c2ccc(C#Cc3ccc(F)nc3F)cc2)cc1.CCc1ccc(-c2ccc(C#Cc3ccc(F)nc3F)cc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 9/20 0.36
ACACB O00763 4/20 0.34
TSHR P16473 1/20 0.34
HSD17B10 Q99714 1/20 0.34
CYP2A6 P11509 1/20 0.32
NISCH Q9Y2I1 1/20 0.31
CHRM2 P08172 1/20 0.30
S1PR1 P21453 1/20 0.30
FPR1 P21462 1/20 0.30
FPR3 P25089 1/20 0.30
GPR183 P32249 1/20 0.30
APLNR P35414 1/20 0.30
FFAR4 Q5NUL3 1/20 0.30
GPR65 Q8IYL9 1/20 0.30

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
SCHEMBL9158563 0.96 FFAR1 (0.38) FFAR1ACACBTSHRHSD17B10NISCH
SCHEMBL9160634 0.93 CYP2A6 (0.36) FFAR1ACACBCYP2A6FFAR4
SCHEMBL9158273 0.92 FFAR1 (0.40) FFAR1ACACBCHRM2S1PR1FPR1
SCHEMBL9154284 0.89 CYP2A6 (0.39) FFAR1ACACBCYP2A6FFAR4
SCHEMBL9155712 0.88 TSHR (0.43) FFAR1TSHRHSD17B10NISCHS1PR1
SCHEMBL9766633 0.88 HSD17B10 (0.39) FFAR1TSHRHSD17B10CHRM2FFAR4
SCHEMBL9874595 0.87 HSD17B10 (0.39) FFAR1TSHRHSD17B10
SCHEMBL9156038 0.87 HSD17B10 (0.49) FFAR1TSHRHSD17B10CHRM2
SCHEMBL9766638 0.86 HSD17B10 (0.48) FFAR1TSHRHSD17B10
SCHEMBL9153691 0.84 FFAR1 (0.39) FFAR1TSHRHSD17B10FFAR4

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-0445248-A1 PYRIDINE DERIVATIVES. MERCK PATENT GMBH (DE) 1991-09-11 EP disclosed