SCHEMBL4656232

SCHEMBL4656232

CC(C)C(NCC(N)Cc1ccccc1)C(=O)NC(CN)Cc1ccc(O)c(C(C)(C)C)c1

nearest known ligand 0.44

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 1/20 0.42
FNTA P49354 1/20 0.40
FNTB P49356 1/20 0.40
MMP2 P08253 2/20 0.39

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
SCHEMBL13979534 1.00 OPRK1 (0.42) OPRK1FNTAFNTBMMP2
SCHEMBL3989366 0.85 MAPK1 (0.36) OPRK1
SCHEMBL13795951 0.82 REN (0.34) OPRK1
SCHEMBL3987561 0.81 MAPK1 (0.36) OPRK1
SCHEMBL4657183 0.79 CTSL (0.47)
SCHEMBL4657191 0.79 APP (0.40) FNTAFNTB
SCHEMBL3989149 0.75 BACE1 (0.36) OPRK1
SCHEMBL3988530 0.74 PTPRB (0.36)
SCHEMBL13796750 0.74 PTPRB (0.36)
SCHEMBL4656413 0.73 SYK (0.51)

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1006122-B1 PHENETHYLAMINE DERIVATIVES CHUGAI PHARMACEUTICAL CO LTD (JP) 2008-12-03 EP disclosed
US-6255285-B1 GASTROINTESTINAL DISORDERS CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2001-07-03 US disclosed
EP-1006122-A1 PHENETHYLAMINE DERIVATIVES CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2000-06-07 EP disclosed