SCHEMBL30958085

SCHEMBL30958085

NCCCC[C@H](NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H](N)CO)C(=O)NCC(=O)N1CCC[C@H]1C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 4/20 0.44
▸ APLNR P35414 5/20 0.42
▸ C5AR1 P21730 2/20 0.41
▸ MC4R P32245 1/20 0.41
▸ OPRK1 P41145 1/20 0.41
▸ OPRM1 P35372 1/20 0.39
▸ OPRD1 P41143 1/20 0.39
▸ ITGB3 P05106 1/20 0.39
▸ ITGAV P06756 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
SCHEMBL30958099 0.92 APLNR (0.47) ACEAPLNRC5AR1MC4ROPRK1
SCHEMBL29569060 0.84 ITGB3 (0.48) APLNRC5AR1ITGB3ITGAV
SCHEMBL29568833 0.83 ITGB3 (0.48) APLNRC5AR1ITGB3ITGAV
SCHEMBL29630369 0.83 TRHR (0.41) ACEOPRM1OPRD1
SCHEMBL29569355 0.83 C5AR1 (0.55) APLNRC5AR1MC4RITGB3ITGAV
SCHEMBL29568884 0.82 C5AR1 (0.54) APLNRC5AR1MC4RITGB3ITGAV
SCHEMBL30958093 0.82 APLNR (0.59) APLNRC5AR1MC4ROPRK1OPRM1
SCHEMBL30356636 0.81 APLNR (0.40) ACEAPLNRC5AR1OPRM1OPRD1
SCHEMBL29568804 0.81 ACE (0.45) ACE
SCHEMBL29802052 0.81 ACE (0.48) ACEC5AR1MC4ROPRK1OPRM1

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-3649146-B1 APELIN PEPTIDES AND USES THEREOF UNIV ALBERTA (CA) 2024-06-26 — — EP disclosed
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