SCHEMBL7659702

SCHEMBL7659702

O=C(O)[C@@H]1CC1c1ccc(OC(F)(F)F)cc1

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 9/20 0.50
KDM1A O60341 2/20 0.45
GPR88 Q9GZN0 1/20 0.44
EPHX2 P34913 2/20 0.44
FFAR4 Q5NUL3 5/20 0.43
MAOB P27338 1/20 0.43
CYP4F2 P78329 1/20 0.41
CYP4A11 Q02928 1/20 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
SCHEMBL6997931 1.00 FFAR1 (0.50) FFAR1KDM1AGPR88EPHX2FFAR4
SCHEMBL23425328 1.00 FFAR1 (0.50) FFAR1KDM1AGPR88EPHX2FFAR4
SCHEMBL21501071 1.00 FFAR1 (0.50) FFAR1KDM1AGPR88EPHX2FFAR4
SCHEMBL18984237 1.00 FFAR1 (0.50) FFAR1KDM1AGPR88EPHX2FFAR4
SCHEMBL27699503 0.86 GPR88 (0.43) FFAR1KDM1AGPR88EPHX2MAOB
SCHEMBL18559979 0.84 FFAR1 (0.51) FFAR1KDM1ACYP4F2CYP4A11
SCHEMBL18559754 0.84 FFAR1 (0.51) FFAR1KDM1ACYP4F2CYP4A11
SCHEMBL22721277 0.82 GPR88 (0.48) FFAR1KDM1AGPR88EPHX2FFAR4
SCHEMBL28947449 0.80 IDO1 (0.54) FFAR1EPHX2FFAR4CYP4F2CYP4A11
SCHEMBL16030266 0.80 FFAR1 (0.40) FFAR1KDM1AGPR88FFAR4MAOB

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
US-6369064-B1 MYOCARDIAL INFARCTION AND UNSTABLE ANGINA; P2T-RECEPTOR ANTAGONISTS; ANTITHROMBOTIC AGENTS; 7-(SUBSTITUTED AMINO) -5-(THIO)-3H-1,2,3-TRIAZOLO(4,5-D)PYRIMIDIN-3-YL) -CYCLOPENTANECARBOXAMIDES ASTRAZENECA AB (SE) 2002-04-09 US disclosed