SCHEMBL9033924

SCHEMBL9033924

CCOc1ccc(C2(N(OCc3ccccc3)c3ccnc(C)c3OC)CCCCC2)cc1

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RORC P51449 1/20 0.33
OPRM1 P35372 3/20 0.33
OPRL1 P41146 3/20 0.33
BCHE P06276 1/20 0.33
MAPT P10636 1/20 0.32
OPRD1 P41143 2/20 0.32
OPRK1 P41145 2/20 0.32
CNR2 P34972 1/20 0.31
ADAM17 P78536 1/20 0.31
CACNA2D1 P54289 1/20 0.31
NPC1 O15118 1/20 0.31
MAOA P21397 1/20 0.31

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
SCHEMBL9034632 0.91 OPRM1 (0.36) OPRM1OPRL1OPRK1
SCHEMBL8840459 0.89 OPRM1 (0.32) RORCOPRM1OPRL1BCHEMAPT
SCHEMBL8840419 0.85 RORC (0.32) RORCNPC1MAOA
SCHEMBL9035779 0.84 OPRM1 (0.34) OPRM1OPRL1OPRK1
SCHEMBL8840404 0.82 TSHR (0.36) OPRM1OPRL1MAPT
SCHEMBL8840544 0.82 MEN1 (0.36) OPRM1OPRL1OPRD1OPRK1
SCHEMBL8840422 0.80 OPRM1 (0.34) OPRM1OPRL1OPRD1OPRK1
SCHEMBL8840440 0.79
SCHEMBL8840413 0.79 OPRM1 (0.37) OPRM1OPRL1NPC1
SCHEMBL8840381 0.79 OPRM1 (0.34) OPRM1OPRL1OPRD1OPRK1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0719256-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-1995007891-A1 SUBSTITUTED PYRIDINES, PROCESS FOR PRODUCING THEM AND THEIR USE AS PESTICIDES AND FUNGICIDES HOECHST SCHERING AGREVO GMBH (DE) 1995-03-23 WO disclosed