SCHEMBL24136407

SCHEMBL24136407

COc1cccc(OC2CC3CN(CSc4ccc(O)cn4)CC3C2)c1F

nearest known ligand 0.69

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 20/20 0.69
GRIN2B Q13224 20/20 0.69

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
SCHEMBL22701653 1.00 GRIN1 (0.69) GRIN1GRIN2B
SCHEMBL21018646 0.90 GRIN1 (0.68) GRIN1GRIN2B
SCHEMBL20090964 0.90 GRIN1 (0.67) GRIN1GRIN2B
SCHEMBL24136473 0.86 GRIN1 (0.66) GRIN1GRIN2B
SCHEMBL20090963 0.86 GRIN1 (0.66) GRIN1GRIN2B
SCHEMBL24136466 0.84 GRIN1 (0.69) GRIN1GRIN2B
SCHEMBL20091001 0.84 GRIN1 (0.69) GRIN1GRIN2B
SCHEMBL22701635 0.83 GRIN1 (0.69) GRIN1GRIN2B
SCHEMBL21018719 0.82 GRIN1 (0.62) GRIN1GRIN2B
SCHEMBL20090870 0.82 GRIN1 (0.67) GRIN1GRIN2B

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-3683207-B1 N-ALKYLARYL-5-OXYARYL-OCTAHYDRO-CYCLOPENTA[C]PYRROLE NEGATIVE ALLOSTERIC MODULATORS OF NR2B CADENT THERAPEUTICS INC (US) 2021-12-29 EP disclosed