SCHEMBL29568889

SCHEMBL29568889

NC(=O)C[C@H](NC(=O)[C@@H]1CCCCN1C(=O)CNC(=O)[C@@H](N)Cc1c[nH]cn1)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CALCRL Q16602 4/20 0.38
▸ RAMP1 O60894 1/20 0.38
▸ F2 P00734 4/20 0.37
▸ ITGB3 P05106 1/20 0.37
▸ ITGAV P06756 1/20 0.37
▸ APLNR P35414 3/20 0.36
▸ TRHR P34981 1/20 0.36
▸ OPRM1 P35372 3/20 0.36
▸ OPRD1 P41143 2/20 0.36
▸ SLC6A2 P23975 1/20 0.35
▸ DPP3 Q9NY33 1/20 0.35

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
SCHEMBL29569960 0.98 CALCRL (0.38) CALCRLRAMP1F2ITGB3ITGAV
SCHEMBL29569112 0.89 APLNR (0.43) CALCRLRAMP1F2ITGB3ITGAV
SCHEMBL29568928 0.88 APLNR (0.44) F2ITGB3ITGAVAPLNROPRM1
SCHEMBL29569350 0.86 APLNR (0.41) F2ITGB3ITGAVAPLNROPRM1
SCHEMBL31127573 0.86 PSMB9 (0.42) CALCRLRAMP1F2APLNR
SCHEMBL29569123 0.85 OPRM1 (0.34) F2OPRM1
SCHEMBL30630359 0.85 SLC6A2 (0.48) CALCRLRAMP1OPRM1OPRD1SLC6A2
SCHEMBL29568782 0.85 APLNR (0.46) APLNR
SCHEMBL29569060 0.84 ITGB3 (0.48) F2ITGB3ITGAVAPLNR
SCHEMBL29568804 0.83 ACE (0.45) —

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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