SCHEMBL8774517

SCHEMBL8774517

CCc1ccc(-c2ccc(C#Cc3cnc(F)c(F)c3)cc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 7/20 0.44
FFAR1 O14842 2/20 0.39
CYP2A6 P11509 1/20 0.36
ACACB O00763 2/20 0.35
GRM5 P41594 1/20 0.34
PIK3CA P42336 1/20 0.33
MTOR P42345 1/20 0.33
METAP2 P50579 1/20 0.33

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
SCHEMBL8774154 0.95 EGLN1 (0.47) EGLN1FFAR1CYP2A6ACACBGRM5
SCHEMBL8774819 0.89 FFAR1 (0.43) EGLN1FFAR1ACACB
SCHEMBL8774460 0.86 HSD17B10 (0.43) FFAR1
SCHEMBL8775133 0.85 HSD17B10 (0.49) FFAR1MTOR
SCHEMBL8774897 0.84 FFAR1 (0.45) EGLN1FFAR1ACACBGRM5
SCHEMBL8774677 0.81 FFAR1 (0.43) EGLN1FFAR1ACACB
SCHEMBL8774747 0.81 EGLN1 (0.42) EGLN1GRM5METAP2
SCHEMBL8775015 0.81 EGLN1 (0.42) EGLN1GRM5METAP2
SCHEMBL9154247 0.80 GRM5 (0.47) EGLN1FFAR1CYP2A6ACACBGRM5
SCHEMBL9508806 0.80 GRM5 (0.41) EGLN1FFAR1CYP2A6ACACBGRM5

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0519370-B1 Heterocyclic derivatives MERCK PATENT GMBH (DE) 1997-11-05 EP disclosed
EP-0519370-A2 Heterocyclic derivatives MERCK PATENT GmbH (DE) 1992-12-23 EP disclosed