SCHEMBL28699265

SCHEMBL28699265

CC(C)(C)OC(=O)N1[C@@H](c2ccc(O)cc2)CC[C@H]1C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
FFAR2 O15552 3/20 0.41
PDE5A O76074 1/20 0.39
CHRM2 P08172 1/20 0.38
CHRM1 P11229 1/20 0.38
CHRM3 P20309 1/20 0.38
PRKCZ Q05513 1/20 0.38
ABCB1 P08183 1/20 0.38
PPARG P37231 1/20 0.38

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
SCHEMBL2896922 0.89 FFAR2 (0.51) FFAR2ABCB1
SCHEMBL475744 0.89 FFAR2 (0.51) FFAR2ABCB1
SCHEMBL30720983 0.89 FFAR2 (0.51) FFAR2ABCB1
SCHEMBL475745 0.89 FFAR2 (0.51) FFAR2ABCB1
SCHEMBL859599 0.89 FFAR2 (0.51) FFAR2ABCB1
SCHEMBL5156869 0.89 FFAR2 (0.51) FFAR2ABCB1
SCHEMBL6183606 0.89 FFAR2 (0.51) FFAR2ABCB1
SCHEMBL29040317 0.89 FFAR2 (0.51) FFAR2ABCB1
SCHEMBL310430 0.88 KCNH2 (0.39) PDE5ACHRM2CHRM1CHRM3
SCHEMBL839485 0.88 KCNH2 (0.39) PDE5ACHRM2CHRM1CHRM3

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114222728-A Process for preparing alpha-carboxamide pyrrolidine derivatives 生物基因公司 2022-03-22 CN disclosed
CN-114026066-A Process for preparing alpha-carboxamide pyrrolidine derivatives 生物基因麻省公司 2022-02-08 CN disclosed