SCHEMBL7319508

SCHEMBL7319508

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

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CTSD P07339 12/20 0.37
▸ REN P00797 3/20 0.35
▸ IL1RN P18510 3/20 0.34
▸ ERAP2 Q6P179 3/20 0.34
▸ ERAP1 Q9NZ08 2/20 0.33
▸ CTSB P07858 3/20 0.33
▸ CTSK P43235 3/20 0.33

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
SCHEMBL7319509 1.00 CTSD (0.37) CTSDRENIL1RNERAP2ERAP1
SCHEMBL10447998 0.85 REN (0.42) CTSDREN
SCHEMBL10447999 0.85 REN (0.42) CTSDREN
SCHEMBL7319519 0.84 REN (0.48) RENCTSBCTSK
SCHEMBL10431112 0.76 REN (0.48) CTSDREN
Hydrochloric Acid SCHEMBL10448582 0.75 ALDH1A1 (0.36) IL1RNERAP2ERAP1
Hydrochloric Acid SCHEMBL10448581 0.75 ALDH1A1 (0.36) IL1RNERAP2ERAP1
SCHEMBL11426067 0.75 PSENEN (0.46) CTSDRENCTSK
SCHEMBL11426063 0.75 PSENEN (0.46) CTSDRENCTSK
SCHEMBL10659887 0.74 REN (0.60) CTSDREN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0437508-A1 NON-PEPTIDE RENIN INHIBITORS ABBOTT LABORATORIES (US) 1991-07-24 — — EP disclosed
WO-1990003971-A1 NON-PEPTIDE RENIN INHIBITORS ABBOTT LABORATORIES (US) 1990-04-19 — — WO disclosed
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