SCHEMBL10748595

SCHEMBL10748595

NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)Nc1ccccc1C(=O)O

nearest known ligand 0.64

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ TACR1 P25103 8/20 0.64
▸ CMA1 P23946 1/20 0.53
▸ OPRM1 P35372 2/20 0.51
▸ OPRD1 P41143 2/20 0.51
▸ OPRK1 P41145 1/20 0.51

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
SCHEMBL10362594 0.91 TACR1 (0.67) TACR1OPRM1OPRD1OPRK1
SCHEMBL10364251 0.88 TACR1 (0.57) TACR1CMA1
SCHEMBL10364533 0.80 ITGB3 (0.58) TACR1
SCHEMBL30157193 0.80 OPRM1 (0.73) OPRM1OPRD1OPRK1
SCHEMBL10363304 0.79 TACR1 (0.52) TACR1CMA1
SCHEMBL3635117 0.79 OPRM1 (0.67) OPRM1OPRD1OPRK1
SCHEMBL10362638 0.79 TACR1 (0.57) TACR1
SCHEMBL30157177 0.78 OPRM1 (0.66) OPRM1OPRD1OPRK1
SCHEMBL38658663 0.78 OPRM1 (0.78) OPRM1OPRD1OPRK1
SCHEMBL10362832 0.77 TACR1 (0.53) TACR1

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-4657893-A ANTIINFLAMMATORY AGENTS SYNTEX (U.S.A.) INC. (US) 1987-04-14 — — US disclosed
EP-0147211-A2 4H-3,1-benzoxazin-4-ones and related compounds, pharmaceutical compositions containing them, and processes for their preparation SYNTEX (U.S.A.) INC. (US) 1985-07-03 — — EP disclosed
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