SCHEMBL16358972

SCHEMBL16358972

CSCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)C(N)=O

nearest known ligand 0.61

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ GHSR Q92847 10/20 0.61
▸ CTSC P53634 1/20 0.58
▸ UTS2R Q9UKP6 1/20 0.54

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
SCHEMBL2549659 0.93 GHSR (0.61) GHSRCTSCUTS2R
SCHEMBL29356416 0.92 CTSC (0.67) GHSRCTSC
Hydrochloric Acid SCHEMBL9331126 0.91 CTSC (0.66) GHSRCTSC
SCHEMBL30617730 0.89 GHSR (0.62) GHSRUTS2R
SCHEMBL30466124 0.88 GHSR (0.61) GHSRUTS2R
SCHEMBL3486221 0.88 GHSR (0.61) GHSRUTS2R
SCHEMBL3486226 0.88 GHSR (0.61) GHSRUTS2R
SCHEMBL29434320 0.88 GHSR (0.61) GHSRUTS2R
SCHEMBL29442437 0.88 CTSC (0.61) GHSRCTSC
SCHEMBL29399611 0.88 CCKBR (0.62) CTSC

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
WO-2008134761-A2 MODIFICATION OF BIOLOGICAL TARGETING GROUPS FOR THE TREATMENT OF CANCER INTEZYNE TECHNOLOGIES, INC. (US) 2008-11-06 — — WO disclosed
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