SCHEMBL9818552

SCHEMBL9818552

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

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ REN P00797 4/20 0.45
▸ MMP1 P03956 2/20 0.43
▸ FCER2 P06734 3/20 0.43
▸ CTSL P07711 1/20 0.43
▸ PTPN1 P18031 2/20 0.41
▸ ROCK2 O75116 1/20 0.41
▸ ROCK1 Q13464 1/20 0.41
▸ ERAP2 Q6P179 4/20 0.40
▸ LNPEP Q9UIQ6 4/20 0.40
▸ ERAP1 Q9NZ08 3/20 0.40
▸ GNPAT O15228 1/20 0.40
▸ ACE P12821 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
SCHEMBL11765581 0.87 REN (0.54) RENMMP1FCER2CTSLPTPN1
SCHEMBL11759100 0.87 REN (0.54) RENMMP1FCER2CTSLPTPN1
Hydrochloric Acid SCHEMBL11764160 0.86 REN (0.53) RENMMP1FCER2CTSLPTPN1
SCHEMBL7271435 0.85 CTSL (0.50) RENMMP1FCER2CTSLPTPN1
SCHEMBL9551311 0.84 REN (0.64) RENCTSLACE
SCHEMBL10605598 0.84 PTPN1 (0.52) RENMMP1FCER2CTSLPTPN1
SCHEMBL9417261 0.84 REN (0.48) RENMMP1FCER2CTSLPTPN1
SCHEMBL9417336 0.83 REN (0.48) RENMMP1FCER2CTSLPTPN1
SCHEMBL7277904 0.82 FCER2 (0.45) RENMMP1FCER2CTSLPTPN1
SCHEMBL9472410 0.82 REN (0.47) RENMMP1FCER2CTSLPTPN1

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-5032577-A Hypotensive ABBOTT LABORATORIES (US) 1991-07-16 — — US disclosed
EP-0295294-A4 PEPTIDYLAMINODIOLS. ABBOTT LAB (US) 1990-04-10 — — EP disclosed
EP-0295294-A1 PEPTIDYLAMINODIOLS ABBOTT LABORATORIES (US) 1988-12-21 — — EP disclosed
WO-1988005050-A1 PEPTIDYLAMINODIOLS ABBOTT LABORATORIES (US) 1988-07-14 — — WO disclosed
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