SCHEMBL27745741

SCHEMBL27745741

N=C(N)NCCC[C@@H]([C]=O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ GHSR Q92847 5/20 0.49
▸ PRKACB P22694 1/20 0.48
▸ NPBWR1 P48145 2/20 0.48
▸ UTS2R Q9UKP6 1/20 0.47
▸ NMBR P28336 2/20 0.46
▸ CTSC P53634 1/20 0.46

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
SCHEMBL2183733 0.95 NPBWR1 (0.54) NPBWR1
SCHEMBL28175417 0.92 CTSC (0.52) CTSC
SCHEMBL8125020 0.92 GHSR (0.53) GHSRUTS2RCTSC
SCHEMBL2192156 0.90 CTSC (0.51) PRKACBCTSC
SCHEMBL28176391 0.90 KISS1R (0.51) GHSR
SCHEMBL29483770 0.90 GHSR (0.60) GHSRPRKACBNPBWR1UTS2R
SCHEMBL29641173 0.90 GHSR (0.60) GHSRPRKACBNPBWR1UTS2R
SCHEMBL29483769 0.90 GHSR (0.60) GHSRPRKACBNPBWR1UTS2R
SCHEMBL11667587 0.89 KISS1R (0.52) NPBWR1
SCHEMBL29483773 0.89 GHSR (0.56) GHSRPRKACBNPBWR1UTS2RNMBR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101265290-A Peptide containing tryptophyl-lysyl(arginyl) fragment and anticancer use thereof INST MATERIA MEDICA CAMS (CN) 2008-09-17 — — CN disclosed
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