SCHEMBL7491950

SCHEMBL7491950

COC(=O)C1CNC(C(=O)OC)C1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 2/20 0.52
CHRNA4 P43681 2/20 0.52
CHRNB4 P30926 1/20 0.52
CHRNA3 P32297 1/20 0.52
CHRNA7 P36544 1/20 0.52
CYP1A2 P05177 1/20 0.47
CYP2D6 P10635 1/20 0.47
ALOX15 P16050 1/20 0.47
CYP2C19 P33261 1/20 0.47
SLC1A3 P43003 1/20 0.47
SLC1A2 P43004 1/20 0.47
SLC1A1 P43005 1/20 0.47
DPP4 P27487 1/20 0.37
BRD4 O60885 1/20 0.35
TP53 P04637 1/20 0.35
KMT2A Q03164 1/20 0.35
CHEK2 O96017 2/20 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
SCHEMBL8481945 1.00 CHRNB2 (0.52) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL7823846 1.00 CHRNB2 (0.52) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL27970690 1.00 CHRNB2 (0.52) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL7491943 1.00 CHRNB2 (0.52) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL7823845 1.00 CHRNB2 (0.52) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL8481947 1.00 CHRNB2 (0.52) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL8482485 1.00 CHRNB2 (0.52) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL7424981 0.88 CYP2D6 (0.64) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL7424991 0.88 CYP2D6 (0.64) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL7424985 0.88 CYP2D6 (0.64) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0761668-B1 Non-classical antifolates UNIV PRINCETON (US) 2002-01-30 EP disclosed
US-5942537-A ADMINISTERING A L-TRANS PYRROLIDINE DERIVATIVE TO INHIBIT THE TRANSPORT OF L-GLUTAMATE OR L-ASPARTATE OR AN EXCITATORY AMINO ACID NEUROTRANSMITTER AWAY FROM A SYNAPSE COMPRISING CONTACTING SYNAPSE WITH PYRROLIDINE DERIVATIVE THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1999-08-24 US disclosed
US-5786358-A INHIBITORS OF GLYCINAMIDE RIBONUCLEOTIDE FORMYL TRANSFERASE THE TRUSTEES OF PRINCETON UNIVERSITY (US) 1998-07-28 US disclosed
EP-0761668-A2 Non-classical antifolates THE TRUSTEES OF PRINCETON UNIVERSITY (US) 1997-03-12 EP disclosed
EP-0497895-A1 METHOD OF INHIBITING THE TRANSPORT OF L-GLUTAMATE THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1992-08-12 EP disclosed
WO-1991006536-A1 METHOD OF INHIBITING THE TRANSPORT OF L-GLUTAMATE THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1991-05-16 WO disclosed