SCHEMBL20040262

SCHEMBL20040262

C[C@@H]1CCCNC1C(N)=O

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.47
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
BLM P54132 1/20 0.44
KDM4E B2RXH2 1/20 0.39
MAPT P10636 1/20 0.39
ATM Q13315 1/20 0.39
CYP2D6 P10635 1/20 0.39
GLI1 P08151 1/20 0.39
NOS2 P35228 2/20 0.38
NOS3 P29474 1/20 0.38
NOS1 P29475 1/20 0.38
SLC1A2 P43004 1/20 0.38
ARG1 P05089 2/20 0.36

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
SCHEMBL15173701 1.00 EPHX1 (0.47) EPHX1KMT2AMEN1BLMKDM4E
SCHEMBL15173700 1.00 EPHX1 (0.47) EPHX1KMT2AMEN1BLMKDM4E
SCHEMBL883229 0.87
SCHEMBL1054734 0.87
SCHEMBL1073392 0.87
SCHEMBL1080236 0.85 SLC1A2 (0.43) EPHX1KMT2AMEN1BLMKDM4E
SCHEMBL29053592 0.81 MEN1 (0.61) EPHX1KMT2AMEN1BLMSLC1A2
SCHEMBL220787 0.81 MEN1 (0.61) EPHX1KMT2AMEN1BLMSLC1A2
SCHEMBL8383293 0.81 MEN1 (0.45) EPHX1KMT2AMEN1BLMNOS2
SCHEMBL220789 0.81 MEN1 (0.61) EPHX1KMT2AMEN1BLMSLC1A2

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
EP-2811997-B1 SUBSTITUTED PROLINES/PIPERIDINES AS OREXIN RECEPTOR ANTAGONISTS EOLAS THERAPEUTICS INC (US) 2018-04-11 EP disclosed