SCHEMBL9026845

SCHEMBL9026845

C=CCOC(=O)N1CC(O)CC1Cc1ccncc1C

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 2/20 0.35
GPR119 Q8TDV5 3/20 0.34
POLB P06746 3/20 0.34
SIGMAR1 Q99720 1/20 0.33
SNCA P37840 1/20 0.32
CYP19A1 P11511 1/20 0.32
SOST Q9BQB4 1/20 0.32
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
HSD17B10 Q99714 1/20 0.31
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2C19 P33261 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
SCHEMBL9026838 1.00 PIK3CD (0.35) PIK3CDGPR119POLBSIGMAR1SNCA
SCHEMBL9027794 0.87 GPR119 (0.33) GPR119SIGMAR1CYP19A1
SCHEMBL9027799 0.87 GPR119 (0.33) GPR119SIGMAR1CYP19A1
SCHEMBL8832922 0.83 SNCA (0.38) PIK3CDGPR119POLBSIGMAR1SNCA
SCHEMBL9221010 0.83 SNCA (0.38) PIK3CDGPR119POLBSIGMAR1SNCA
SCHEMBL9025782 0.82 ECE1 (0.37) GPR119CYP19A1KDM4EALDH1A1NPSR1
SCHEMBL9025780 0.82 ECE1 (0.37) GPR119CYP19A1KDM4EALDH1A1NPSR1
SCHEMBL9222414 0.81 CHRNA7 (0.41) PIK3CDPOLBSIGMAR1CYP19A1ALDH1A1
SCHEMBL9222410 0.81 CHRNA7 (0.41) PIK3CDPOLBSIGMAR1CYP19A1ALDH1A1
SCHEMBL9216990 0.79 CYP19A1 (0.33) POLBSIGMAR1CYP19A1

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
EP-0722447-A1 3-PYRROLIDINYLTHIO-CARBAPENEM DERIVATIVES AND THEIR ANTIMICROBAL ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-07-24 EP disclosed
WO-1995010520-A1 3-PYRROLIDINYLTHIO-CARBAPENEM DERIVATIVES AND THEIR ANTIMICROBAL ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1995-04-20 WO disclosed