SCHEMBL8774403

SCHEMBL8774403

CCc1ccc(C#Cc2cc(F)c(F)nc2Cl)cc1

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 12/20 0.38
EGLN1 Q9GZT9 2/20 0.38
EGLN3 Q9H6Z9 1/20 0.38
CYP2A6 P11509 1/20 0.35
ACACB O00763 2/20 0.33
KHK P50053 1/20 0.33
FFAR4 Q5NUL3 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL8774969 0.89 FFAR1 (0.42) FFAR1EGLN1EGLN3ACACBFFAR4
SCHEMBL8774297 0.87 FFAR1 (0.40) FFAR1EGLN1CYP2A6ACACBFFAR4
SCHEMBL8774468 0.87 FFAR1 (0.40) FFAR1EGLN1EGLN3
SCHEMBL8774475 0.85 FFAR1 (0.40) FFAR1EGLN1EGLN3
SCHEMBL8774750 0.83 FFAR1 (0.38) FFAR1EGLN1CYP2A6ACACBFFAR4
SCHEMBL8978844 0.80 CYP2A6 (0.45) FFAR1EGLN1CYP2A6ACACBFFAR4
SCHEMBL9160297 0.77 FFAR1 (0.37) FFAR1EGLN1CYP2A6ACACBSMN1; SMN2
SCHEMBL8774506 0.76 FFAR1 (0.31) FFAR1EGLN1EGLN3
SCHEMBL8774514 0.76 FFAR1 (0.31) FFAR1EGLN1EGLN3
SCHEMBL8774295 0.75 FFAR1 (0.44) FFAR1ACACBFFAR4

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