SCHEMBL21094091

SCHEMBL21094091

CC(=O)[C@H]1CC[C@@H](c2ccc(F)c(F)c2)N1C(=O)OC(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FFAR2 O15552 1/20 0.44
DPP4 P27487 1/20 0.39
ABCB1 P08183 1/20 0.38
MMP13 P45452 1/20 0.36
CHRM2 P08172 1/20 0.36
CHRM1 P11229 1/20 0.36
CHRM3 P20309 1/20 0.36
HRH3 Q9Y5N1 2/20 0.36
TRPV3 Q8NET8 1/20 0.35
RIPK1 Q13546 1/20 0.35
PRKCZ Q05513 1/20 0.35
HCRTR2 O43614 1/20 0.35
HSD11B1 P28845 1/20 0.34

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
SCHEMBL28907082 0.91 CNR1 (0.38) FFAR2DPP4ABCB1PRKCZ
SCHEMBL21094084 0.91 FFAR2 (0.42) FFAR2DPP4ABCB1MMP13CHRM2
SCHEMBL2586267 0.88 FFAR2 (0.45) FFAR2DPP4ABCB1MMP13HRH3
SCHEMBL28519331 0.86 RIPK1 (0.50) FFAR2ABCB1RIPK1
SCHEMBL2346142 0.85 ALDH1A1 (0.43) FFAR2DPP4ABCB1MMP13CHRM1
SCHEMBL28518933 0.85 FFAR2 (0.41) FFAR2DPP4ABCB1MMP13CHRM2
SCHEMBL2351859 0.84 FFAR2 (0.43) FFAR2DPP4ABCB1MMP13TRPV3
SCHEMBL21094088 0.84 FFAR2 (0.42) FFAR2DPP4MMP13HRH3PRKCZ
SCHEMBL21094095 0.83 FFAR2 (0.46) FFAR2ABCB1RIPK1
SCHEMBL28527660 0.82 USP30 (0.41) FFAR2ABCB1CHRM2CHRM1CHRM3

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
WO-2019112024-A1 PYRROLIDINE COMPOUND キッセイ薬品工業株式会社 2019-06-13 WO disclosed