SCHEMBL3989366

SCHEMBL3989366

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

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.36
CYP3A4 P08684 1/20 0.36
PIN1 Q13526 1/20 0.35
OPRK1 P41145 1/20 0.34
MC4R P32245 1/20 0.34
MC3R P41968 1/20 0.34
MME P08473 2/20 0.34
ACE P12821 1/20 0.34
REN P00797 1/20 0.34
KMT2A Q03164 2/20 0.33
TRPA1 O75762 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
MEN1 O00255 1/20 0.33
GAA P10253 1/20 0.33

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
SCHEMBL3987561 0.90 MAPK1 (0.36) MAPK1OPRK1RENKMT2AMEN1
SCHEMBL13795951 0.90 REN (0.34) MAPK1OPRK1RENKMT2AMEN1
SCHEMBL4656232 0.85 OPRK1 (0.42) OPRK1
SCHEMBL13979534 0.85 OPRK1 (0.42) OPRK1
SCHEMBL3995150 0.82 CYP3A4 (0.35) MAPK1CYP3A4PIN1MC4RMC3R
SCHEMBL3988530 0.81 PTPRB (0.36) REN
SCHEMBL13796750 0.81 PTPRB (0.36) REN
SCHEMBL3990129 0.81 OPRK1 (0.35) MAPK1CYP3A4OPRK1RENKMT2A
SCHEMBL13796438 0.79 MC4R (0.37) MAPK1CYP3A4PIN1MC4RMC3R
SCHEMBL3994927 0.79 SYK (0.32) OPRK1

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