SCHEMBL29569112

SCHEMBL29569112

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

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ APLNR P35414 3/20 0.43
▸ ITGB3 P05106 1/20 0.42
▸ ITGAV P06756 1/20 0.42
▸ F2 P00734 5/20 0.42
▸ C5AR1 P21730 2/20 0.40
▸ OPRM1 P35372 1/20 0.39
▸ OPRD1 P41143 1/20 0.39
▸ CALCR P30988 2/20 0.39
▸ CALCRL Q16602 2/20 0.39
▸ RAMP1 O60894 1/20 0.39

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
SCHEMBL29568928 0.98 APLNR (0.44) APLNRITGB3ITGAVF2C5AR1
SCHEMBL29568833 0.93 ITGB3 (0.48) APLNRITGB3ITGAVF2C5AR1
SCHEMBL29568535 0.93 APLNR (0.49) APLNRITGB3ITGAVF2C5AR1
SCHEMBL29569494 0.93 APLNR (0.47) APLNRITGB3ITGAVF2C5AR1
SCHEMBL29569060 0.92 ITGB3 (0.48) APLNRITGB3ITGAVF2C5AR1
SCHEMBL29569960 0.91 CALCRL (0.38) APLNRITGB3ITGAVF2OPRM1
SCHEMBL29568907 0.91 ITGB3 (0.46) APLNRITGB3ITGAVF2C5AR1
SCHEMBL29568599 0.90 APLNR (0.50) APLNRC5AR1
SCHEMBL29568606 0.90 APLNR (0.53) APLNRITGB3ITGAVC5AR1
SCHEMBL29568889 0.89 CALCRL (0.38) APLNRITGB3ITGAVF2OPRM1

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
Send feedback