SCHEMBL10557246

SCHEMBL10557246

CN(C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)Cc1ccccc1)[C@@H](Cc1ccccc1)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ GNPAT O15228 1/20 0.49
▸ CTSC P53634 1/20 0.47
▸ MMP9 P14780 2/20 0.46
▸ MMP8 P22894 1/20 0.46
▸ MMP14 P50281 1/20 0.46
▸ OPRD1 P41143 5/20 0.46
▸ OPRM1 P35372 4/20 0.46
▸ OPRK1 P41145 1/20 0.46
▸ ALPI P09923 1/20 0.46
▸ PKM P14618 1/20 0.46
▸ PTGS1 P23219 1/20 0.46
▸ XIAP P98170 1/20 0.46
▸ SLC7A5 Q01650 1/20 0.46
▸ MMP2 P08253 1/20 0.44
▸ MME P08473 1/20 0.44

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
SCHEMBL11008491 0.85 GNPAT (0.40) GNPATCTSCOPRD1OPRM1OPRK1
SCHEMBL29670420 0.83 CTSL (0.60) OPRK1
SCHEMBL32661261 0.82 OPRD1 (0.55) OPRD1OPRM1OPRK1MME
Acetic Acid SCHEMBL29391847 0.82 GNPAT (0.61) GNPATCTSCALPIPKMPTGS1
SCHEMBL8082487 0.82 MME (0.63) GNPATCTSCALPIPKMPTGS1
SCHEMBL8082492 0.82 MME (0.63) GNPATCTSCALPIPKMPTGS1
SCHEMBL14772130 0.82 MME (0.63) GNPATCTSCALPIPKMPTGS1
SCHEMBL30862466 0.82 MME (0.63) GNPATCTSCALPIPKMPTGS1
SCHEMBL30862442 0.82 MME (0.63) GNPATCTSCALPIPKMPTGS1
SCHEMBL30862464 0.82 MME (0.63) GNPATCTSCALPIPKMPTGS1

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
US-4863903-A RENIN ENZYME INHIBITORS, HYPOTENSIVE AGENTS CIBA-GEIGY CORPORATION (US) 1989-09-05 — — US disclosed
US-4719288-A HYPOTENSIVE CIBA-GEIGY CORPORATION (US) 1988-01-12 — — US disclosed
US-4613676-A PEPTIDES CIBA-GEIGY CORPORATION (US) 1986-09-23 — — US disclosed
EP-0143746-A2 5-Amino 4-hydroxy-valeryl-substituted derivatives CIBA-GEIGY AG (CH) 1985-06-05 — — EP disclosed
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