SCHEMBL30615338

SCHEMBL30615338

COc1cc(-n2c(=O)[nH]c3ncccc32)ccc1F

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ PRKCQ Q04759 12/20 0.48
▸ PDE4B Q07343 1/20 0.46
▸ PRKCA P17252 1/20 0.46
▸ MAP3K11 Q16584 2/20 0.45
▸ DAO P14920 1/20 0.44
▸ GRM4 Q14833 2/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ RXRA P19793 1/20 0.42
▸ GRIN1 Q05586 1/20 0.42
▸ GRIN2B Q13224 1/20 0.42

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
SCHEMBL21464054 0.91 PRKCQ (0.48) PRKCQPDE4BPRKCAMAP3K11DAO
SCHEMBL30615537 0.91 PRKCQ (0.48) PRKCQPDE4BPRKCAMAP3K11DAO
SCHEMBL21463602 0.81 PDE4B (0.48) PDE4BMAP3K11DAOGRM4ALDH1A1
SCHEMBL30615379 0.81 PDE4B (0.48) PDE4BMAP3K11DAOGRM4ALDH1A1
SCHEMBL30615608 0.80 ALDH1A1 (0.49) ALDH1A1
SCHEMBL21463914 0.80 ALDH1A1 (0.49) ALDH1A1
SCHEMBL30615535 0.79 PRKCQ (0.44) PRKCQPRKCADAOALDH1A1GRIN1
SCHEMBL30615357 0.77 PRKCQ (0.51) PRKCQPDE4BPRKCADAOALDH1A1
SCHEMBL16348540 0.77 DAO (0.53) PRKCQPRKCADAOALDH1A1GRIN1
SCHEMBL24405999 0.76 PDE4B (0.48) PDE4BGRM4ALDH1A1RXRAGRIN1

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
CN-111868037-B Fused cyclic urea derivatives as CRHR2 antagonists 拉夸里亚创药株式会社 2023-10-13 — — CN disclosed
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