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SCHEMBL7320867

SCHEMBL7320867

CC(C)[C@H](NC(=O)[C@@H](NC(=O)CCCCCc1ccc(O)cc1)C(CO)CNC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@@H](N)CO)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CASP1 P29466 1/20 0.41
▸ OPRD1 P41143 11/20 0.41
▸ OPRM1 P35372 6/20 0.39
▸ OPRK1 P41145 1/20 0.39
▸ SPHK1 Q9NYA1 2/20 0.37
▸ NPY5R Q15761 3/20 0.36
▸ NPY1R P25929 2/20 0.36
▸ NPY4R P50391 2/20 0.36

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
SCHEMBL7332114 1.00 CASP1 (0.41) CASP1OPRD1OPRM1OPRK1SPHK1
SCHEMBL7327018 0.86 CASP1 (0.47) CASP1
SCHEMBL7324372 0.86 SDCBP (0.35) CASP1OPRD1OPRM1OPRK1SPHK1
SCHEMBL7328954 0.86 SDCBP (0.35) CASP1OPRD1OPRM1OPRK1SPHK1
SCHEMBL7330074 0.83 SPHK1 (0.39) OPRD1OPRM1OPRK1SPHK1NPY5R
SCHEMBL7321477 0.79 CASP1 (0.46) CASP1
SCHEMBL7319638 0.75 CTSK (0.46) CASP1
SCHEMBL7329312 0.75 CTSD (0.42) CASP1
SCHEMBL7324031 0.75 CASP1 (0.38) CASP1
SCHEMBL7323095 0.73 ERAP2 (0.43) CASP1

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
WO-1990000399-A1 RETROVIRAL PROTEASE BINDING PEPTIDES SMITHKLINE BECKMAN CORPORATION (US) 1990-01-25 — — WO claimed
EP-0352000-A2 Retroviral protease binding peptides SMITHKLINE BEECHAM CORPORATION (US) 1990-01-24 — — EP claimed
WO-1990000399-A1 RETROVIRAL PROTEASE BINDING PEPTIDES SMITHKLINE BECKMAN CORPORATION (US) 1990-01-25 — — WO disclosed
EP-0352000-A2 Retroviral protease binding peptides SMITHKLINE BEECHAM CORPORATION (US) 1990-01-24 — — EP disclosed