SCHEMBL29569350

SCHEMBL29569350

NC(=O)NCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H](N)Cc1c[nH]cn1)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ APLNR P35414 5/20 0.41
▸ C5AR1 P21730 2/20 0.40
▸ CTSL P07711 3/20 0.39
▸ CTSS P25774 3/20 0.39
▸ CTSK P43235 3/20 0.39
▸ CTSH P09668 1/20 0.38
▸ OPRM1 P35372 2/20 0.38
▸ OPRD1 P41143 2/20 0.38
▸ ITGB3 P05106 1/20 0.37
▸ ITGAV P06756 1/20 0.37
▸ F2 P00734 2/20 0.37

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
SCHEMBL29568782 0.94 APLNR (0.46) APLNRC5AR1CTSLCTSSCTSK
SCHEMBL29568599 0.90 APLNR (0.50) APLNRC5AR1CTSLCTSSCTSK
SCHEMBL29568777 0.89 APLNR (0.51) APLNRC5AR1CTSLCTSSCTSK
SCHEMBL29569960 0.88 CALCRL (0.38) APLNROPRM1OPRD1ITGB3ITGAV
SCHEMBL29569112 0.88 APLNR (0.43) APLNRC5AR1OPRM1OPRD1ITGB3
SCHEMBL29568928 0.87 APLNR (0.44) APLNRC5AR1OPRM1ITGB3ITGAV
SCHEMBL29568564 0.86 APLNR (0.54) APLNRC5AR1
SCHEMBL29569072 0.86 APLNR (0.54) APLNRC5AR1
SCHEMBL29568889 0.86 CALCRL (0.38) APLNROPRM1OPRD1ITGB3ITGAV
SCHEMBL31127573 0.85 PSMB9 (0.42) APLNRF2

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
EP-3320923-B1 FLUORESCENT IMAGING AGENTS VISEN MEDICAL INC (US) 2022-04-06 — — EP disclosed
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