SCHEMBL8840413

SCHEMBL8840413

COCCOCCOc1ccc(C2(N(OCc3ccccc3)c3ccnc(COC)c3OC)CCCCC2)cc1

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 3/20 0.37
OPRL1 P41146 3/20 0.37
FOXM1 Q08050 1/20 0.32
EGFR P00533 1/20 0.31
CSF1R P07333 1/20 0.31
NPC1 O15118 1/20 0.30
TP53 P04637 1/20 0.30
RAB9A P51151 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
APP P05067 2/20 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
SCHEMBL8840404 0.92 TSHR (0.36) OPRM1OPRL1
SCHEMBL8840544 0.92 MEN1 (0.36) OPRM1OPRL1
SCHEMBL8840459 0.90 OPRM1 (0.32) OPRM1OPRL1
SCHEMBL8840422 0.89 OPRM1 (0.34) OPRM1OPRL1
SCHEMBL8840440 0.87
SCHEMBL8840558 0.86 MAPT (0.33) OPRM1OPRL1
SCHEMBL9035779 0.83 OPRM1 (0.34) OPRM1OPRL1
SCHEMBL8840419 0.81 RORC (0.32) NPC1RAB9ASMN1; SMN2
SCHEMBL8840449 0.80 OPRM1 (0.31) OPRM1OPRL1
SCHEMBL9033924 0.79 RORC (0.33) OPRM1OPRL1NPC1

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 3 patents. 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
EP-0719255-A1 SUBSTITUTED PYRIDINES, PROCESS FOR PRODUCING THEM AND THEIR USE AS PESTICIDES AND FUNGICIDES Hoechst Schering AgrEvo GmbH (DE) 1996-07-03 EP disclosed
WO-1995007890-A1 SUBSTITUTED PYRIDINES, PROCESS FOR PRODUCING THEM AND THEIR USE AS PESTICIDES AND FUNGICIDES HOECHST SCHERING AGREVO GMBH (DE) 1995-03-23 WO disclosed