SCHEMBL20036661

SCHEMBL20036661

COc1cc(N2CCC(Oc3ccc(N4CCC(C)C4)cn3)C(C)C2)c(Cl)cn1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ FFAR1 O14842 19/20 0.58
▸ CYP3A4 P08684 2/20 0.53
▸ CYP2C8 P10632 2/20 0.53
▸ CYP2D6 P10635 2/20 0.53
▸ CYP2C9 P11712 2/20 0.53
▸ CYP2B6 P20813 2/20 0.53
▸ CYP2C19 P33261 2/20 0.53
▸ MAOB P27338 1/20 0.53
▸ FFAR4 Q5NUL3 1/20 0.53
▸ CHRNB2 P17787 1/20 0.41
▸ CHRNB4 P30926 1/20 0.41
▸ CHRNA3 P32297 1/20 0.41
▸ CHRNA4 P43681 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
SCHEMBL19788647 0.91 FFAR1 (0.67) FFAR1CYP3A4CYP2C8CYP2D6CYP2C9
SCHEMBL20036595 0.91 FFAR1 (0.67) FFAR1CYP3A4CYP2C8CYP2D6CYP2C9
SCHEMBL20036604 0.91 FFAR1 (0.67) FFAR1CYP3A4CYP2C8CYP2D6CYP2C9
SCHEMBL20036630 0.90 FFAR1 (0.54) FFAR1CYP3A4CYP2C8CYP2D6CYP2C9
SCHEMBL20036572 0.87 FFAR1 (0.54) FFAR1CYP3A4CYP2C8CYP2D6CYP2C9
SCHEMBL20036607 0.87 FFAR1 (0.50) FFAR1CYP3A4CYP2C8CYP2D6CYP2C9
SCHEMBL20041258 0.87 FFAR1 (0.53) FFAR1CYP3A4CYP2C8CYP2D6CYP2C9
SCHEMBL20036696 0.87 FFAR1 (0.51) FFAR1CYP3A4CYP2C8CYP2D6CYP2C9
SCHEMBL20036680 0.87 FFAR1 (0.49) FFAR1CYP3A4CYP2C8CYP2D6CYP2C9
SCHEMBL20036660 0.86 FFAR1 (0.51) 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
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