SCHEMBL23958778

SCHEMBL23958778

CC(C)(O)c1cc(C(CN)C2CC2)nc(-c2ccc(C3CC3)cc2)c1F

nearest known ligand 0.33

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 9/20 0.33
SOAT1 P35610 4/20 0.33
FAAH O00519 1/20 0.31
CHRM2 P08172 1/20 0.31
DGAT2 Q96PD7 1/20 0.31
PDE10A Q9Y233 1/20 0.31
DHODH Q02127 1/20 0.31
CASR P41180 1/20 0.31
TLR9 Q9NR96 1/20 0.30
TLR8 Q9NR97 1/20 0.30
TLR7 Q9NYK1 1/20 0.30
CYP11B1 P15538 1/20 0.30
CYP11B2 P19099 1/20 0.30
KCNK3 O14649 1/20 0.30
KCNK9 Q9NPC2 1/20 0.30
FFAR4 Q5NUL3 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
SCHEMBL23958627 0.90 CFTR (0.36) CYP11B1CYP11B2
SCHEMBL23958856 0.88 PGR (0.30)
SCHEMBL23958709 0.86 FFAR1 (0.31)
SCHEMBL23958741 0.83 TACR3 (0.35)
SCHEMBL23958793 0.78 CFTR (0.35) CYP11B1CYP11B2
SCHEMBL23958732 0.78
SCHEMBL23958767 0.76 DGAT1 (0.34) DGAT1SOAT1FAAHCHRM2DGAT2
SCHEMBL23958975 0.76 DGAT1 (0.34) DGAT1SOAT1FAAHCHRM2DGAT2
SCHEMBL23958893 0.74 MAPK1 (0.32)
SCHEMBL26926330 0.73 CFTR (0.39)

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