SCHEMBL3987434

SCHEMBL3987434

CC(=O)N(CC(N)Cc1ccc(F)cc1)C(C(=O)N(C)C(C)Cc1ccc(O)c(C(C)(C)C)c1)C(C)C

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 4/20 0.32
KDM4E B2RXH2 3/20 0.32
RECQL P46063 3/20 0.32
HIF1A Q16665 3/20 0.32
HSD17B10 Q99714 3/20 0.32
USP2 O75604 2/20 0.32
ADORA3 P0DMS8 2/20 0.32
HTR2A P28223 2/20 0.32
PTGS2 P35354 2/20 0.32
TDP1 Q9NUW8 2/20 0.32
EGFR P00533 1/20 0.32
LCK P06239 1/20 0.32
FYN P06241 1/20 0.32
PTGS1 P23219 1/20 0.32
SLC7A5 Q01650 1/20 0.32
MAOB P27338 2/20 0.31
OPRK1 P41145 2/20 0.31
OPRM1 P35372 1/20 0.31
OPRD1 P41143 1/20 0.31
ACACB O00763 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
SCHEMBL3987590 0.91 MAOB (0.33) ALOX15KDM4ERECQLHIF1AHSD17B10
SCHEMBL3990161 0.91 F2R (0.30)
SCHEMBL3994857 0.85 ACACB (0.33) OPRK1OPRM1OPRD1ACACB
SCHEMBL3989034 0.81 TRPA1 (0.33) OPRK1OPRM1OPRD1TRPA1
SCHEMBL3986378 0.81 FCER2 (0.30)
SCHEMBL3990129 0.81 OPRK1 (0.35) ALOX15KDM4ERECQLHIF1AHSD17B10
SCHEMBL13795944 0.78 SLC7A5 (0.32) ALOX15KDM4ERECQLHIF1AHSD17B10
SCHEMBL3989091 0.78 REN (0.34) OPRK1OPRM1OPRD1ACACB
SCHEMBL3989149 0.76 BACE1 (0.36) OPRK1OPRD1
SCHEMBL3995150 0.76 CYP3A4 (0.35) USP2OPRM1OPRD1CYP3A4MAPK1

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
US-7553969-B1 Substituted phenethylamine derivatives CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2009-06-30 US disclosed
EP-1149843-A1 SUBSTITUTED PHENETHYLAMINE DERIVATIVES CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2001-10-31 EP disclosed