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SCHEMBL28909199

SCHEMBL28909199

COc1cc(C(=O)NCC(O)(c2cc(C(C)(C)O)c(Cl)c(-c3ccc(F)cc3)n2)C2CC2)cc2cc(C(F)(F)F)cnc12

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CFTR P13569 3/20 0.36
▸ CNR1 P21554 1/20 0.34
▸ PDE4B Q07343 2/20 0.32
▸ RHOC P08134 1/20 0.32
▸ RHOA P61586 1/20 0.32
▸ P2RX7 Q99572 2/20 0.32
▸ RIPK1 Q13546 3/20 0.32
▸ HCRTR1 O43613 3/20 0.32
▸ HCRTR2 O43614 1/20 0.32
▸ ULK1 O75385 1/20 0.32
▸ ROCK2 O75116 2/20 0.31
▸ ROCK1 Q13464 2/20 0.31

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
SCHEMBL25687507 1.00 CFTR (0.36) CFTRCNR1PDE4BRHOCRHOA
SCHEMBL25687503 0.94 CFTR (0.38) CFTRPDE4BRIPK1HCRTR1HCRTR2
SCHEMBL25279914 0.92 CNR1 (0.34) CFTRCNR1RIPK1ROCK2ROCK1
SCHEMBL30007416 0.92 CNR1 (0.34) CFTRCNR1RIPK1ROCK2ROCK1
SCHEMBL25687220 0.92 CNR1 (0.34) CFTRCNR1RIPK1ROCK2ROCK1
SCHEMBL30007164 0.90 P2RX7 (0.33) CFTRCNR1P2RX7RIPK1ROCK2
SCHEMBL25687297 0.90 P2RX7 (0.33) CFTRCNR1P2RX7RIPK1ROCK2
SCHEMBL25687501 0.89 CFTR (0.39) CFTRRIPK1ULK1
SCHEMBL30007333 0.88 CFTR (0.35) CFTRCNR1ROCK2ROCK1
SCHEMBL23958710 0.88 CFTR (0.35) CFTRCNR1ROCK2ROCK1

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-115461336-A RSV inhibiting 3-substituted quinoline and cinnoline derivatives 爱尔兰詹森科学公司 2022-12-09 — — CN disclosed