SCHEMBL9567082

SCHEMBL9567082

C=CCOC(=O)NCC(C)=C[C@@H]1C[C@H](S)CN1C(=O)OCC=C

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.34
SIGMAR1 Q99720 1/20 0.32
CHRM1 P11229 1/20 0.31
CYP19A1 P11511 1/20 0.30
CASP1 P29466 1/20 0.30

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
SCHEMBL9567139 1.00 FAAH (0.34) FAAHSIGMAR1CHRM1CYP19A1CASP1
SCHEMBL9567081 1.00 FAAH (0.34) FAAHSIGMAR1CHRM1CYP19A1CASP1
SCHEMBL9595968 1.00 FAAH (0.34) FAAHSIGMAR1CHRM1CYP19A1CASP1
SCHEMBL9595974 1.00 FAAH (0.34) FAAHSIGMAR1CHRM1CYP19A1CASP1
SCHEMBL9271968 0.85 SIGMAR1 (0.31) SIGMAR1
SCHEMBL9271972 0.85 SIGMAR1 (0.31) SIGMAR1
SCHEMBL9283457 0.82
SCHEMBL9283449 0.82
SCHEMBL9594840 0.82 CHRM1 (0.32) FAAHSIGMAR1CHRM1CASP1
SCHEMBL9594836 0.82 CHRM1 (0.32) FAAHSIGMAR1CHRM1CASP1

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
WO-1993001192-A1 2-(2-SUBSTITUTED PYRROLIDINYLTHIO)CARBAPENEM DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 1993-01-21 WO disclosed
EP-0522504-A1 2-(2-substituted pyrrolidinylthio)-carbapenem derivatives Banyu Pharmaceutical Co., Ltd. (JP) 1993-01-13 EP disclosed