SCHEMBL19853725

SCHEMBL19853725

CC(C)C(O)NC1CCC2(CC1)CN(CC(N)=O)C2=O

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
APEX1 P27695 1/20 0.32
BLM P54132 1/20 0.32
OPRM1 P35372 3/20 0.31
OPRL1 P41146 3/20 0.31
TSHR P16473 1/20 0.31
RIPK1 Q13546 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
SCHEMBL21034922 0.82 OPRK1 (0.35) APEX1BLMOPRM1OPRL1TSHR
SCHEMBL19853787 0.81 BLM (0.35) APEX1BLMOPRM1OPRL1TSHR
SCHEMBL19853794 0.79 APEX1 (0.35) APEX1BLMOPRM1OPRL1TSHR
SCHEMBL19854301 0.77 OPRK1 (0.30) APEX1BLM
SCHEMBL19853729 0.77
SCHEMBL19854298 0.77 OPRM1 (0.34) APEX1BLMOPRM1OPRL1TSHR
SCHEMBL19839384 0.77 BLM (0.39) APEX1BLMOPRM1OPRL1TSHR
SCHEMBL19853789 0.75 APEX1 (0.47) APEX1BLMOPRM1OPRL1TSHR
SCHEMBL19853769 0.72 TSHR (0.44) APEX1BLMOPRM1OPRL1TSHR
SCHEMBL21034514 0.69 PKM (0.36) APEX1BLMOPRM1OPRL1TSHR

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
WO-2018026763-A1 SPIRO-LACTAM NMDA RECEPTOR MODULATORS AND USES THEREOF APTINYX INC. (US) 2018-02-08 WO disclosed