SCHEMBL20036612

SCHEMBL20036612

CCc1cnc(OC)cc1N1CCC(Oc2ncc(N3CCC(C)C3)cc2C(F)(F)F)C(C)C1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ FFAR1 O14842 18/20 0.43
▸ CYP3A4 P08684 2/20 0.43
▸ CYP2C8 P10632 2/20 0.43
▸ CYP2D6 P10635 2/20 0.43
▸ CYP2C9 P11712 2/20 0.43
▸ CYP2B6 P20813 2/20 0.43
▸ CYP2C19 P33261 2/20 0.43
▸ MAOB P27338 1/20 0.43
▸ FFAR4 Q5NUL3 1/20 0.43
▸ PIK3CA P42336 2/20 0.38
▸ PIK3CD O00329 1/20 0.37
▸ PIK3CB P42338 1/20 0.37

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
SCHEMBL20036670 0.88 FFAR1 (0.51) FFAR1CYP3A4CYP2C8CYP2D6CYP2C9
SCHEMBL20036680 0.84 FFAR1 (0.49) FFAR1CYP3A4CYP2C8CYP2D6CYP2C9
SCHEMBL20036698 0.78 FFAR1 (0.48) FFAR1FFAR4PIK3CAPIK3CDPIK3CB
SCHEMBL20036660 0.77 FFAR1 (0.51) FFAR1CYP3A4CYP2C8CYP2D6CYP2C9
SCHEMBL20036603 0.77 FFAR1 (0.48) FFAR1CYP3A4CYP2C8CYP2D6CYP2C9
SCHEMBL20036647 0.77 FFAR1 (0.48) FFAR1CYP3A4CYP2C8CYP2D6CYP2C9
SCHEMBL20036696 0.76 FFAR1 (0.51) FFAR1CYP3A4CYP2C8CYP2D6CYP2C9
SCHEMBL20036685 0.76 FFAR1 (0.74) FFAR1CYP3A4CYP2C8CYP2D6CYP2C9
SCHEMBL20036617 0.75 FFAR1 (0.39) FFAR1CYP3A4CYP2C8CYP2D6CYP2C9
SCHEMBL20036701 0.75 FFAR1 (0.55) 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
EP-3140296-B1 PYRROLIDINE GPR40 MODULATORS FOR THE TREATMENT OF DISEASES SUCH AS DIABETES BRISTOL MYERS SQUIBB CO (US) 2018-04-11 — — EP disclosed
Send feedback