SCHEMBL28528408

SCHEMBL28528408

CC(=O)[C@H]1CC[C@@H](c2cc(F)cc(Cl)c2)N1C(=O)OC(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FFAR2 O15552 1/20 0.36
STS P08842 2/20 0.36
RIPK1 Q13546 3/20 0.35
CALCRL Q16602 4/20 0.34
CHRM2 P08172 1/20 0.34
CHRM1 P11229 1/20 0.34
CHRM3 P20309 1/20 0.34
ABCB1 P08183 1/20 0.34
NTRK1 P04629 2/20 0.34
CACNA1H O95180 1/20 0.34
DPP4 P27487 1/20 0.33
USP30 Q70CQ3 1/20 0.33

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
SCHEMBL28518933 0.92 FFAR2 (0.41) FFAR2RIPK1CHRM2CHRM1CHRM3
SCHEMBL28527102 0.91 CALCRL (0.35) FFAR2STSRIPK1CALCRLCHRM2
SCHEMBL20835401 0.86 TYMS (0.35) FFAR2STSCALCRLCACNA1HDPP4
SCHEMBL28907082 0.83 CNR1 (0.38) FFAR2STSCALCRLABCB1DPP4
SCHEMBL20835757 0.83 FFAR2 (0.40) FFAR2RIPK1CALCRLNTRK1CACNA1H
SCHEMBL21094095 0.83 FFAR2 (0.46) FFAR2STSRIPK1ABCB1USP30
SCHEMBL28519331 0.83 RIPK1 (0.50) FFAR2RIPK1ABCB1NTRK1
SCHEMBL21094091 0.82 FFAR2 (0.44) FFAR2RIPK1CHRM2CHRM1CHRM3
SCHEMBL28520937 0.82 FFAR2 (0.40) FFAR2RIPK1CALCRLCHRM2CHRM1
SCHEMBL20835577 0.82 FFAR2 (0.51) FFAR2RIPK1CHRM2CHRM1CHRM3

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
CN-109476639-B Pyrrolidine derivatives 橘生药品工业股份有限公司 2021-02-26 CN disclosed