SCHEMBL10606495

SCHEMBL10606495

C=CCC(C(=O)NC(=O)[C@H](CSC)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(O)C(N)CC1CCCCC1

nearest known ligand 0.52

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ REN P00797 19/20 0.52
▸ PGC P20142 1/20 0.44
▸ CCKBR P32239 1/20 0.41

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
SCHEMBL10609083 0.91 REN (0.57) REN
SCHEMBL9833160 0.88 REN (0.51) RENPGC
SCHEMBL10611452 0.87 REN (0.51) RENPGCCCKBR
SCHEMBL9831114 0.81 REN (0.49) RENPGCCCKBR
SCHEMBL9832821 0.81 REN (0.57) REN
SCHEMBL9832617 0.78 REN (0.48) RENPGC
SCHEMBL9831316 0.78 REN (0.49) RENPGC
SCHEMBL9833647 0.76 REN (0.53) REN
SCHEMBL7292800 0.76 REN (0.59) REN
SCHEMBL7292517 0.76 REN (0.66) REN

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
US-4826958-A HYPOTENSIVE AGENTS ABBOTT LABORATORIES (US) 1989-05-02 — — US disclosed
EP-0184855-A2 Resin inhibiting compounds ABBOTT LABORATORIES (US) 1986-06-18 — — EP disclosed
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