SCHEMBL10420920

SCHEMBL10420920

CC(C)OC(=O)[C@@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H](C=C1CCCCC1)Cc1cccc2ccccc12

nearest known ligand 0.44

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ REN P00797 17/20 0.44
▸ CTSL P07711 1/20 0.38
▸ CTSE P14091 1/20 0.37
▸ P2RX1 P51575 1/20 0.37
▸ CTSS P25774 1/20 0.37

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
SCHEMBL10421139 0.91 REN (0.52) REN
SCHEMBL10422425 0.87 REN (0.45) RENCTSS
SCHEMBL10420919 0.86 REN (0.44) RENCTSLCTSEP2RX1
SCHEMBL10709304 0.86 REN (0.44) RENCTSLCTSEP2RX1
SCHEMBL10422706 0.86 REN (0.48) REN
SCHEMBL10421590 0.86 REN (0.44) RENCTSLCTSEP2RX1
SCHEMBL10420914 0.84 REN (0.46) REN
SCHEMBL10709088 0.84 REN (0.46) REN
SCHEMBL10421231 0.84 REN (0.46) REN
SCHEMBL10421337 0.84 REN (0.49) 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
US-4904660-A HYPOTENSIVE AGENTS YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1990-02-27 — — US disclosed
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