SCHEMBL6969682

SCHEMBL6969682

CC(=O)N1C/C(=N/OCc2ccc(Cl)c(Cl)c2)CC1C(=O)NC1CC1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 1/20 0.38
SIGMAR1 Q99720 3/20 0.37
DPP4 P27487 1/20 0.37
DPP7 Q9UHL4 1/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
OPRK1 P41145 6/20 0.36
OPRM1 P35372 1/20 0.36
P2RX7 Q99572 1/20 0.36
GLP1R P43220 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
MAPK1 P28482 1/20 0.34
GRM2 Q14416 1/20 0.34
GRM3 Q14832 1/20 0.34
MMP1 P03956 1/20 0.34
MMP3 P08254 1/20 0.34
MMP7 P09237 1/20 0.34
MMP13 P45452 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
SCHEMBL4944181 1.00 MCHR1 (0.38) MCHR1SIGMAR1DPP4DPP7MEN1
SCHEMBL6977855 1.00 MCHR1 (0.38) MCHR1SIGMAR1DPP4DPP7MEN1
SCHEMBL4944176 1.00 MCHR1 (0.38) MCHR1SIGMAR1DPP4DPP7MEN1
SCHEMBL4942355 0.93 MCHR1 (0.36) MCHR1SIGMAR1DPP4DPP7MEN1
SCHEMBL4942360 0.93 MCHR1 (0.36) MCHR1SIGMAR1DPP4DPP7MEN1
SCHEMBL4940074 0.89 OPRK1 (0.39) MCHR1SIGMAR1DPP4DPP7OPRK1
SCHEMBL4940085 0.89 OPRK1 (0.39) MCHR1SIGMAR1DPP4DPP7OPRK1
SCHEMBL4942149 0.85 SIGMAR1 (0.39) SIGMAR1DPP4DPP7MEN1KMT2A
SCHEMBL4942156 0.85 SIGMAR1 (0.39) SIGMAR1DPP4DPP7MEN1KMT2A
SCHEMBL4942999 0.82 CAPN1 (0.39) GLP1RMMP1MMP3MMP7MMP13

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1268419-A1 PYRROLIDINE DERIVATIVES USEFUL AS BAX INHIBITORS Applied Research Systems ARS Holding N.V. (AN) 2003-01-02 EP disclosed
EP-1268418-A1 PHARMACEUTICALLY ACTIVE PYRROLIDINE DERIVATIVES AS BAX INHIBITORS Applied Research Systems ARS Holding N.V. (AN) 2003-01-02 EP disclosed
WO-2001074769-A1 PHARMACEUTICALLY ACTIVE PYRROLIDINE DERIVATIVES AS BAX INHIBITORS APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2001-10-11 WO disclosed
WO-2001072705-A1 PHARMACEUTICALLY ACTIVE PYRROLIDINE DERIVATIVES AS BAX INHIBITORS APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2001-10-04 WO disclosed