SCHEMBL7286404

SCHEMBL7286404

N=C(N)NCCCC(NC(=O)OCc1ccccc1)C(=O)N1CCCC1C(=O)NC(Cc1ccccc1)C(=O)NC([C]=O)Cc1c[nH]cn1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ APLNR P35414 2/20 0.49
▸ C5AR1 P21730 1/20 0.48
▸ OPRM1 P35372 6/20 0.47
▸ OPRK1 P41145 6/20 0.47
▸ CTSL P07711 3/20 0.47
▸ CTSS P25774 3/20 0.47
▸ CTSK P43235 3/20 0.47
▸ CTSH P09668 1/20 0.47
▸ MC4R P32245 1/20 0.45
▸ EPHA2 P29317 1/20 0.45
▸ MALT1 Q9UDY8 1/20 0.44
▸ NMUR2 Q9GZQ4 1/20 0.44
▸ NMUR1 Q9HB89 1/20 0.44

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
SCHEMBL7286414 1.00 APLNR (0.49) APLNRC5AR1OPRM1OPRK1CTSL
SCHEMBL7438047 0.99 APLNR (0.50) APLNRC5AR1OPRM1OPRK1CTSL
SCHEMBL7438062 0.99 APLNR (0.50) APLNRC5AR1OPRM1OPRK1CTSL
SCHEMBL7295827 0.92 C5AR1 (0.53) APLNRC5AR1OPRM1OPRK1CTSL
SCHEMBL7295836 0.92 C5AR1 (0.53) APLNRC5AR1OPRM1OPRK1CTSL
SCHEMBL11497533 0.90 C5AR1 (0.47) APLNRC5AR1OPRM1OPRK1CTSL
SCHEMBL11497532 0.90 C5AR1 (0.47) APLNRC5AR1OPRM1OPRK1CTSL
SCHEMBL30974024 0.82 APLNR (0.52) APLNRC5AR1OPRM1OPRK1CTSL
SCHEMBL7296869 0.82 OPRM1 (0.52) OPRM1OPRK1
SCHEMBL7296864 0.82 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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