SCHEMBL8840558

SCHEMBL8840558

COCc1nccc(N(OCc2ccccc2)C2(c3ccc(OC(C)C)cc3)CCCCC2)c1OC

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.33
THRB P10828 1/20 0.33
OPRM1 P35372 1/20 0.31
OPRL1 P41146 1/20 0.31
MCL1 Q07820 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
SCHEMBL8840422 0.90 OPRM1 (0.34) OPRM1OPRL1
SCHEMBL8840459 0.90 OPRM1 (0.32) MAPTOPRM1OPRL1
SCHEMBL8840440 0.88
SCHEMBL8840544 0.88 MEN1 (0.36) OPRM1OPRL1
SCHEMBL8840404 0.88 TSHR (0.36) MAPTOPRM1OPRL1
SCHEMBL8840413 0.86 OPRM1 (0.37) OPRM1OPRL1
SCHEMBL9035779 0.84 OPRM1 (0.34) OPRM1OPRL1
SCHEMBL8840449 0.80 OPRM1 (0.31) OPRM1OPRL1
SCHEMBL8840487 0.79 OPRL1 (0.34) OPRM1OPRL1
SCHEMBL9033924 0.79 RORC (0.33) MAPTOPRM1OPRL1

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
US-5650417-A Substituted pyridines, their preparation, and their use as pesticides and fungicides HOECHST SCHERING AGREVO GMBH (DE) 1997-07-22 US disclosed