SCHEMBL11023662

SCHEMBL11023662

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

nearest known ligand 0.65

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ REN P00797 12/20 0.65
▸ CTSD P07339 8/20 0.63

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
SCHEMBL10630585 0.96 REN (0.63) RENCTSD
SCHEMBL11018761 0.95 REN (0.67) RENCTSD
SCHEMBL10628634 0.89 REN (0.65) RENCTSD
SCHEMBL9716892 0.87 REN (0.65) REN
SCHEMBL10630607 0.86 REN (0.67) REN
SCHEMBL11023809 0.84 REN (0.57) RENCTSD
SCHEMBL29612424 0.82 REN (0.59) RENCTSD
SCHEMBL10632103 0.82 CTSD (0.48) RENCTSD
SCHEMBL10656077 0.81 REN (0.50) RENCTSD
SCHEMBL10664132 0.81 REN (0.62) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0161588-A2 Diamino acid derivatives MERCK PATENT GmbH (DE) 1985-11-21 — — EP disclosed
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