SCHEMBL23958874

SCHEMBL23958874

COc1cc(C(=O)NCC(c2cc(C(C)(C)O)c(F)c(-c3ccc(F)c(F)c3)n2)C2CC2)cc2cc(C)cnc12

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CTSA P10619 2/20 0.35
GABRA5 P31644 4/20 0.34
FFAR1 O14842 6/20 0.33
FFAR4 Q5NUL3 1/20 0.33
ROCK2 O75116 2/20 0.33
ROCK1 Q13464 2/20 0.33
HPGD P15428 1/20 0.32
ACSS2 Q9NR19 1/20 0.32
PDE4B Q07343 2/20 0.32
GSK3B P49841 1/20 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
SCHEMBL23958966 0.93 GABRA5 (0.33) CTSAGABRA5
SCHEMBL23958797 0.85 CFTR (0.36) GABRA5ROCK2ROCK1ACSS2PDE4B
SCHEMBL23958652 0.85 LMNA (0.33) FFAR1ROCK2ROCK1ACSS2
SCHEMBL23958776 0.85 LMNA (0.36) FFAR1ROCK2ROCK1PDE4B
SCHEMBL23958656 0.84 SSTR5 (0.34)
SCHEMBL25698171 0.84 PDE4B (0.31) ACSS2PDE4B
SCHEMBL25242930 0.82 GABRA5 (0.37) CTSAGABRA5ROCK2ROCK1PDE4B
SCHEMBL30007933 0.82 GABRA5 (0.37) CTSAGABRA5ROCK2ROCK1PDE4B
SCHEMBL25687233 0.82 GABRA5 (0.37) CTSAGABRA5ROCK2ROCK1PDE4B
SCHEMBL23958859 0.82 CFTR (0.34) CTSAROCK2ROCK1ACSS2

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-2021214136-A1 RSV INHIBITING 3-SUBSTITUTED QUINOLINE AND CINNOLINE DERIVATIVES Janssen Sciences Ireland Unlimited Company (IE) 2021-10-28 WO disclosed