SCHEMBL11297063

SCHEMBL11297063

C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CN(C)C(=O)OCc1ccccc1)C(=O)N[C@@H](C)P(=O)(O)O

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 6/20 0.47
OPRM1 P35372 5/20 0.47
OPRK1 P41145 1/20 0.47
CPA1 P15085 3/20 0.45
CPA2 P48052 3/20 0.45
CPA4 Q9UI42 3/20 0.45
REN P00797 3/20 0.43
CASP1 P29466 1/20 0.43
CTSB P07858 2/20 0.42
CTSL P07711 1/20 0.42
CTSS P25774 1/20 0.42
CTSK P43235 1/20 0.42
MME P08473 1/20 0.42
ECE1 P42892 1/20 0.42
HRH1 P35367 1/20 0.42

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
SCHEMBL11304447 0.89 CACNA1H (0.41) CPA1CPA2CPA4CTSBCTSK
SCHEMBL11307649 0.89 LGMN (0.43) CTSBMMEECE1
SCHEMBL11306282 0.88 PRSS1 (0.43) CTSBCTSLCTSSCTSKMME
SCHEMBL11304064 0.88 CTSK (0.43) RENCTSLCTSSCTSK
SCHEMBL11298770 0.85 CPA1 (0.41) CPA1CPA2CPA4RENCTSB
SCHEMBL11298478 0.85 POLB (0.42) RENCTSBCTSLCTSKMME
SCHEMBL11307595 0.85 TACR1 (0.55) RENCASP1CTSBCTSLCTSS
SCHEMBL11303949 0.84 MME (0.38) RENCTSBMMEECE1
SCHEMBL11299562 0.84 REN (0.44) RENCTSLCTSSCTSKMME
SCHEMBL11305172 0.83 CTSK (0.46) RENCTSLCTSSCTSKMME

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
US-4250085-A PHOSPHONATE-CONTAINING OLIGOPEPTIDES, BACTERICIDES HOFFMANN-LA ROCHE INC. (US) 1981-02-10 US disclosed