SCHEMBL30684362

SCHEMBL30684362

CCOc1cc(Cl)c(Cl)c2c1c(-c1cn[nH]c1)c1n2CC[C@@H]1NC(=O)CCC(=O)O

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ROCK2 O75116 17/20 0.34
▸ ROCK1 Q13464 5/20 0.32
▸ SSTR5 P35346 2/20 0.32
▸ MELK Q14680 1/20 0.31
▸ SSTR1 P30872 1/20 0.30
▸ HRH1 P35367 1/20 0.30

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
SCHEMBL26912396 1.00 ROCK2 (0.34) ROCK2ROCK1SSTR5MELKSSTR1
SCHEMBL26912886 0.91 ROCK2 (0.35) ROCK2ROCK1MELK
SCHEMBL30684417 0.91 ROCK2 (0.35) ROCK2ROCK1MELK
SCHEMBL26913077 0.90 ROCK2 (0.36) ROCK2ROCK1MELK
SCHEMBL26912901 0.90 ROCK2 (0.36) ROCK2ROCK1MELK
SCHEMBL30684398 0.90 ROCK2 (0.36) ROCK2ROCK1MELK
SCHEMBL30684258 0.90 ROCK2 (0.36) ROCK2ROCK1MELK
SCHEMBL26912404 0.83 ROCK2 (0.32) ROCK2ROCK1
SCHEMBL30684385 0.81 CGAS (0.33) ROCK2
SCHEMBL26913846 0.81 CGAS (0.33) ROCK2

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-2023235809-A1 CGAS INHIBITORS ELI LILLY AND COMPANY (US) 2023-12-07 — — WO disclosed
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