SCHEMBL23930254

SCHEMBL23930254

C[C](O)C(c1cc(C(C)(C)O)c(Cl)c(-c2ccc(F)cc2)n1)C(C)(C)C

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CFTR P13569 3/20 0.33
CNR1 P21554 3/20 0.32
CNR2 P34972 3/20 0.32
MAPK14 Q16539 1/20 0.31
SLC34A1 Q06495 2/20 0.31
CYP11B1 P15538 1/20 0.31
CYP11B2 P19099 1/20 0.31
TNKS O95271 1/20 0.30
PARP1 P09874 1/20 0.30
TNKS2 Q9H2K2 1/20 0.30
DHODH Q02127 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
SCHEMBL23958642 0.79 CFTR (0.38) CFTRCNR1CNR2MAPK14SLC34A1
SCHEMBL23930153 0.78 ADORA2A (0.40) CFTRCNR1CNR2MAPK14SLC34A1
SCHEMBL30007319 0.78 ADORA2A (0.40) CFTRCNR1CNR2MAPK14SLC34A1
SCHEMBL23958593 0.77 CFTR (0.39) CFTRCNR1CNR2SLC34A1
SCHEMBL30007930 0.75 CFTR (0.35) CFTRCNR1CNR2MAPK14SLC34A1
SCHEMBL23958680 0.75 CFTR (0.35) CFTRCNR1CNR2MAPK14SLC34A1
SCHEMBL23958839 0.71 CFTR (0.39) CFTRCNR1CNR2MAPK14SLC34A1
SCHEMBL23930276 0.71 CFTR (0.36) CFTRCNR1CNR2SLC34A1CYP11B1
SCHEMBL23958821 0.71 CFTR (0.36) CFTRCNR1CNR2SLC34A1CYP11B1
SCHEMBL25686491 0.71 CFTR (0.36) CFTRCNR1CNR2SLC34A1CYP11B1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4139293-A1 RSV INHIBITING 3-SUBSTITUTED QUINOLINE AND CINNOLINE DERIVATIVES Janssen Sciences Ireland Unlimited Company (IE) 2023-03-01 EP disclosed
WO-2021214136-A1 RSV INHIBITING 3-SUBSTITUTED QUINOLINE AND CINNOLINE DERIVATIVES Janssen Sciences Ireland Unlimited Company (IE) 2021-10-28 WO disclosed