SCHEMBL7295836

SCHEMBL7295836

N=C(N)NCCC[C@H](NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H]([C]=O)Cc1c[nH]cn1

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ C5AR1 P21730 2/20 0.53
▸ APLNR P35414 2/20 0.50
▸ MC4R P32245 1/20 0.49
▸ OPRM1 P35372 6/20 0.48
▸ OPRK1 P41145 6/20 0.48
▸ CTSL P07711 3/20 0.47
▸ CTSS P25774 3/20 0.47
▸ CTSK P43235 3/20 0.47
▸ CTSH P09668 1/20 0.47
▸ EPHA2 P29317 1/20 0.46

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
SCHEMBL7295827 1.00 C5AR1 (0.53) C5AR1APLNRMC4ROPRM1OPRK1
SCHEMBL11497532 0.95 C5AR1 (0.47) C5AR1APLNRMC4ROPRM1OPRK1
SCHEMBL11497533 0.95 C5AR1 (0.47) C5AR1APLNRMC4ROPRM1OPRK1
SCHEMBL7438062 0.92 APLNR (0.50) C5AR1APLNRMC4ROPRM1OPRK1
SCHEMBL7438047 0.92 APLNR (0.50) C5AR1APLNRMC4ROPRM1OPRK1
SCHEMBL7286404 0.92 APLNR (0.49) C5AR1APLNRMC4ROPRM1OPRK1
SCHEMBL7286414 0.92 APLNR (0.49) C5AR1APLNRMC4ROPRM1OPRK1
SCHEMBL30974024 0.89 APLNR (0.52) C5AR1APLNRMC4ROPRM1OPRK1
SCHEMBL29641093 0.86 C5AR1 (0.64) C5AR1APLNRMC4ROPRM1OPRK1
SCHEMBL7296869 0.85 OPRM1 (0.52) OPRM1OPRK1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0264106-B1 5-Substituted amino-4-hydroxy-pentanoic acid derivatives and their use BANYU PHARMA CO LTD (JP) 1994-03-16 — — EP disclosed
US-4851387-A RENIN INHIBITORS BANYU PHARMACEUTICAL CO., LTD. (JP) 1989-07-25 — — US disclosed
EP-0264106-A2 5-Substituted amino-4-hydroxy-pentanoic acid derivatives and their use Banyu Pharmaceutical Co., Ltd. (JP) 1988-04-20 — — EP disclosed
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