SCHEMBL19154643

SCHEMBL19154643

CCCCOc1cc(N2C[C@H](C)[C@@H](C)[C@@H]2CC(=O)O)cnc1OC1CCN(c2cc(OC)ncc2Cl)CC1C

nearest known ligand 0.71

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ FFAR1 O14842 20/20 0.71
▸ CYP3A4 P08684 2/20 0.65
▸ CYP2C8 P10632 2/20 0.65
▸ CYP2D6 P10635 2/20 0.65
▸ CYP2C9 P11712 2/20 0.65
▸ CYP2B6 P20813 2/20 0.65
▸ CYP2C19 P33261 2/20 0.65
▸ MAOB P27338 1/20 0.55
▸ FFAR4 Q5NUL3 1/20 0.55

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
SCHEMBL15739231 0.95 FFAR1 (0.74) FFAR1CYP3A4CYP2C8CYP2D6CYP2C9
SCHEMBL17249855 0.94 FFAR1 (0.81) FFAR1CYP3A4CYP2C8CYP2D6CYP2C9
SCHEMBL20043116 0.93 FFAR1 (0.74) FFAR1CYP3A4CYP2C8CYP2D6CYP2C9
SCHEMBL17239704 0.92 FFAR1 (0.79) FFAR1CYP3A4CYP2C8CYP2D6CYP2C9
SCHEMBL19154644 0.90 FFAR1 (0.64) FFAR1CYP3A4CYP2C8CYP2D6CYP2C9
SCHEMBL19154753 0.88 FFAR1 (0.69) FFAR1CYP3A4CYP2C8CYP2D6CYP2C9
SCHEMBL19154759 0.88 FFAR1 (0.69) FFAR1CYP3A4CYP2C8CYP2D6CYP2C9
SCHEMBL17249853 0.87 FFAR1 (0.81) FFAR1CYP3A4CYP2C8CYP2D6CYP2C9
SCHEMBL17249854 0.87 FFAR1 (0.81) FFAR1CYP3A4CYP2C8CYP2D6CYP2C9
SCHEMBL15739119 0.86 FFAR1 (0.75) FFAR1CYP3A4CYP2C8CYP2D6CYP2C9

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-9714231-B2 Pyrrolidine GPR40 modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2017-07-25 — — US disclosed
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