SCHEMBL3989491

SCHEMBL3989491

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

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MC4R P32245 3/20 0.35
MC3R P41968 3/20 0.35
REN P00797 1/20 0.32
OPRD1 P41143 2/20 0.30
FCER2 P06734 1/20 0.30
OPRM1 P35372 1/20 0.30
OPRK1 P41145 1/20 0.30
MC1R Q01726 1/20 0.30

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
SCHEMBL13795596 1.00 MC4R (0.35) MC4RMC3RRENOPRD1FCER2
SCHEMBL13796832 0.94 MC4R (0.34) MC4RMC3RREN
SCHEMBL13796806 0.91 MC4R (0.34) MC4RMC3R
SCHEMBL13796434 0.90 MC4R (0.36) MC4RMC3RRENFCER2
SCHEMBL13796438 0.90 MC4R (0.37) MC4RMC3RRENOPRD1
SCHEMBL13796432 0.90 MC4R (0.33) MC4RMC3R
SCHEMBL13795947 0.89 BACE1 (0.33) MC4RMC3R
SCHEMBL13796436 0.87 BACE1 (0.34) MC4RMC3RREN
SCHEMBL3989661 0.87 BACE1 (0.34) MC4RMC3RREN
SCHEMBL13796741 0.87 MC4R (0.31) MC4RMC3R

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 4 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 claimed
EP-1149843-A1 SUBSTITUTED PHENETHYLAMINE DERIVATIVES CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2001-10-31 EP claimed
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