SCHEMBL29569960

SCHEMBL29569960

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

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CALCRL Q16602 4/20 0.38
▸ RAMP1 O60894 1/20 0.38
▸ F2 P00734 4/20 0.38
▸ TRHR P34981 1/20 0.38
▸ APLNR P35414 3/20 0.37
▸ ITGB3 P05106 1/20 0.37
▸ ITGAV P06756 1/20 0.37
▸ OPRM1 P35372 2/20 0.36
▸ OPRD1 P41143 1/20 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
SCHEMBL29568889 0.98 CALCRL (0.38) CALCRLRAMP1F2TRHRAPLNR
SCHEMBL29569112 0.91 APLNR (0.43) CALCRLRAMP1F2APLNRITGB3
SCHEMBL29568928 0.91 APLNR (0.44) F2APLNRITGB3ITGAVOPRM1
SCHEMBL29569350 0.88 APLNR (0.41) F2APLNRITGB3ITGAVOPRM1
SCHEMBL31127573 0.88 PSMB9 (0.42) CALCRLRAMP1F2APLNR
SCHEMBL30630359 0.88 SLC6A2 (0.48) CALCRLRAMP1OPRM1OPRD1
SCHEMBL29568782 0.87 APLNR (0.46) APLNR
SCHEMBL29569123 0.86 OPRM1 (0.34) F2OPRM1
SCHEMBL29568804 0.85 ACE (0.45) —
SCHEMBL30427712 0.84 SLC6A2 (0.47) CALCRLRAMP1APLNROPRM1OPRD1

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