SCHEMBL2666543

SCHEMBL2666543

COC(=O)c1ccc(NC(=O)CSC2C3=C(CCCC3)C(=O)N2CC2=CC(OC)=C(OC)CC2)nc1

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.33
OPRL1 P41146 1/20 0.33
PORCN Q9H237 1/20 0.32
MAPK1 P28482 1/20 0.31
CYP11B2 P19099 1/20 0.30
MAPT P10636 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
SCHEMBL2666544 0.91 RAB9A (0.35) PORCN
SCHEMBL2666710 0.84 MAPK1 (0.40) MAPK1CYP11B2MAPT
SCHEMBL2643471 0.82 MAPK10 (0.40) MAPK1
SCHEMBL9071257 0.80 HCRTR1 (0.37) OPRM1OPRL1MAPK1CYP11B2
SCHEMBL2656449 0.78 TSHR (0.38) PORCNMAPT
SCHEMBL2666597 0.76 CACNA1H (0.38) MAPK1MAPT
SCHEMBL2666860 0.76 PORCN (0.35) PORCN
SCHEMBL2666861 0.75 OPRM1 (0.32) OPRM1OPRL1PORCN
SCHEMBL2643297 0.74 PRKAA2 (0.40) MAPK1
SCHEMBL2666708 0.73 GCK (0.43)

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-2007053765-A2 SUBSTITUTED CYCLOALKYLPYRROLONES AS ALLOSTERIC MODULATORS OF GLUCOKINASE JANSSEN PHARMACEUTICA N.V. (BE) 2007-05-10 WO disclosed