SCHEMBL8840404

SCHEMBL8840404

CCCOc1ccc(C2(N(OCc3ccccc3)c3ccnc(COC)c3OC)CCCCC2)cc1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.36
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CYP1A2 P05177 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
CYP2C19 P33261 1/20 0.32
CHRNB2 P17787 1/20 0.31
CHRNB4 P30926 1/20 0.31
CHRNA3 P32297 1/20 0.31
CHRNA7 P36544 1/20 0.31
CHRNA4 P43681 1/20 0.31
OPRM1 P35372 2/20 0.31
OPRL1 P41146 2/20 0.31
HRH3 Q9Y5N1 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
SCHEMBL8840544 0.97 MEN1 (0.36) TSHRMEN1KMT2AALDH1A1CYP1A2
SCHEMBL8840459 0.93 OPRM1 (0.32) MAPTOPRM1OPRL1
SCHEMBL8840413 0.92 OPRM1 (0.37) OPRM1OPRL1
SCHEMBL8840422 0.90 OPRM1 (0.34) OPRM1OPRL1
SCHEMBL8840440 0.88
SCHEMBL8840558 0.88 MAPT (0.33) MAPTOPRM1OPRL1
SCHEMBL9035779 0.86 OPRM1 (0.34) TSHROPRM1OPRL1
SCHEMBL9033924 0.82 RORC (0.33) MAPTOPRM1OPRL1
SCHEMBL8840419 0.82 RORC (0.32) ALDH1A1
SCHEMBL8840449 0.80 OPRM1 (0.31) OPRM1OPRL1

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