SCHEMBL3987590

SCHEMBL3987590

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

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.33
MAOA P21397 1/20 0.33
REN P00797 1/20 0.31
ALOX15 P16050 4/20 0.31
OPRK1 P41145 4/20 0.31
ALOX12 P18054 3/20 0.31
KDM4E B2RXH2 3/20 0.31
RECQL P46063 3/20 0.31
HIF1A Q16665 3/20 0.31
HSD17B10 Q99714 3/20 0.31
MEN1 O00255 2/20 0.31
ALDH1A1 P00352 2/20 0.31
ESR1 P03372 2/20 0.31
TP53 P04637 2/20 0.31
CYP3A4 P08684 2/20 0.31
HPGD P15428 2/20 0.31
MAPK1 P28482 2/20 0.31
KMT2A Q03164 2/20 0.31
HSP90AA1 P07900 2/20 0.31
HSP90AB1 P08238 2/20 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
SCHEMBL3987434 0.91 ALOX15 (0.32) MAOBMAOAALOX15OPRK1ALOX12
SCHEMBL3986378 0.90 FCER2 (0.30) REN
SCHEMBL3989034 0.90 TRPA1 (0.33) RENOPRK1TRPA1OPRD1
SCHEMBL3989091 0.84 REN (0.34) RENOPRK1OPRD1
SCHEMBL3989149 0.83 BACE1 (0.36) RENOPRK1OPRD1
SCHEMBL3990129 0.83 OPRK1 (0.35) MAOBMAOARENALOX15OPRK1
SCHEMBL3995150 0.82 CYP3A4 (0.35) RENCYP3A4MAPK1KMT2AUSP2
SCHEMBL3990161 0.81 F2R (0.30)
SCHEMBL3994857 0.78 ACACB (0.33) RENOPRK1OPRD1
SCHEMBL13795944 0.77 SLC7A5 (0.32) ALOX15KDM4ERECQLHIF1AHSD17B10

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