SCHEMBL7437431

SCHEMBL7437431

CC(C)(CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]cn1)C(N)=O)CC(=O)OC(C)(C)C

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ REN P00797 8/20 0.54
▸ CCKBR P32239 2/20 0.43
▸ CTSS P25774 2/20 0.41
▸ CTSL P07711 1/20 0.41
▸ CTSB P07858 1/20 0.41
▸ CTSK P43235 1/20 0.41
▸ PTPN1 P18031 1/20 0.41
▸ MAPT P10636 2/20 0.41
▸ TDP1 Q9NUW8 2/20 0.41
▸ MMP1 P03956 1/20 0.40
▸ FCER2 P06734 1/20 0.40
▸ ACE P12821 1/20 0.40
▸ POLB P06746 1/20 0.40

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
SCHEMBL7287586 0.90 REN (0.49) RENCCKBRCTSLPTPN1MMP1
SCHEMBL9551311 0.88 REN (0.64) RENCCKBRCTSSCTSLCTSB
SCHEMBL7278611 0.84 REN (0.48) RENCCKBRCTSSCTSLCTSB
SCHEMBL7448118 0.82 REN (0.53) RENCCKBRPTPN1MAPTTDP1
SCHEMBL9417261 0.82 REN (0.48) RENCTSLPTPN1MMP1FCER2
SCHEMBL10605598 0.82 PTPN1 (0.52) RENCTSSCTSLCTSBPTPN1
SCHEMBL9417336 0.81 REN (0.48) RENCTSLPTPN1MMP1FCER2
SCHEMBL11765581 0.81 REN (0.54) RENCTSSCTSLCTSKPTPN1
SCHEMBL11759100 0.81 REN (0.54) RENCTSSCTSLCTSKPTPN1
SCHEMBL10420805 0.80 CTSS (0.54) RENCCKBRCTSSCTSLCTSB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4977277-A INTERMEDIATES FOR RENIN INHIBITORS ABBOTT LABORATORIES (US) 1990-12-11 — — US disclosed
US-4857507-A HYPOTENSIVE AGENT ABBOTT LABORATORIES (US) 1989-08-15 — — US disclosed
US-4837204-A RENIN INHIBITORS; HYPOTENSIVE AGENTS ABBOTT LABORATORIES (US) 1989-06-06 — — US disclosed
US-4826815-A HYPOTENSIVE ABBOTT LABORATORIES (US) 1989-05-02 — — US disclosed
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