SCHEMBL1666790

SCHEMBL1666790

O=C(O)[C@H]1CC1c1ccc(F)cn1

nearest known ligand 0.53

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 17/20 0.53
CYP2C8 P10632 3/20 0.50
CYP2C9 P11712 2/20 0.45

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
SCHEMBL2520710 1.00 FFAR1 (0.53) FFAR1CYP2C8CYP2C9
SCHEMBL14871759 1.00 FFAR1 (0.53) FFAR1CYP2C8CYP2C9
SCHEMBL1666789 1.00 FFAR1 (0.53) FFAR1CYP2C8CYP2C9
Hydrochloric Acid SCHEMBL2517563 0.98 FFAR1 (0.52) FFAR1CYP2C8CYP2C9
Hydrochloric Acid SCHEMBL2517566 0.98 FFAR1 (0.52) FFAR1CYP2C8CYP2C9
SCHEMBL22101587 0.89 FFAR1 (0.44) FFAR1CYP2C8CYP2C9
SCHEMBL1666779 0.87 FFAR1 (0.42) FFAR1CYP2C8CYP2C9
SCHEMBL1666781 0.87 FFAR1 (0.42) FFAR1CYP2C8CYP2C9
SCHEMBL2521957 0.87 FFAR1 (0.42) FFAR1CYP2C8CYP2C9
SCHEMBL15397536 0.81 FFAR1 (0.42) FFAR1CYP2C8CYP2C9

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-2486014-A1 MODULATORS OF G PROTEIN-COUPLED RECEPTOR 88 Bristol-Myers Squibb Company (US) 2012-08-15 EP disclosed
WO-2011044212-A1 MODULATORS OF G PROTEIN-COUPLED RECEPTOR 88 BRISTOL-MYERS SQUIBB COMPANY (US) 2011-04-14 WO disclosed