SCHEMBL27786079

SCHEMBL27786079

Nc1c2c(nc3c(-c4ccccc4C(F)(F)F)cccc13)CN(C1CC1)C2C=O

nearest known ligand 0.32

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ CYP2D6 P10635 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ CLK4 Q9HAZ1 1/20 0.32
▸ TRPA1 O75762 3/20 0.31
▸ PARP1 P09874 1/20 0.31
▸ TRPM8 Q7Z2W7 1/20 0.31
▸ TRPV1 Q8NER1 1/20 0.31
▸ HTR2A P28223 1/20 0.31
▸ HTR2C P28335 1/20 0.31
▸ C1R P00736 1/20 0.30
▸ HSD11B1 P28845 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
SCHEMBL27785935 0.87 MAPK1 (0.31) —
SCHEMBL27785937 0.83 ADORA2A (0.32) —
SCHEMBL27807960 0.81 ADORA2A (0.35) HTR2C
SCHEMBL27785931 0.81 — —
SCHEMBL27786083 0.79 CHRNB2 (0.34) —
SCHEMBL27785961 0.79 CHRNB2 (0.33) —
SCHEMBL27807943 0.79 — —
SCHEMBL27807916 0.79 ACHE (0.31) —
SCHEMBL27807925 0.79 GBA1 (0.34) —
SCHEMBL27785957 0.79 PIK3CA (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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101778849-A Fused quinoline derivatives useful as gaba modulators ASTRAZENECA AB 2010-07-14 — — CN claimed
CN-101778849-A Fused quinoline derivatives useful as gaba modulators ASTRAZENECA AB 2010-07-14 — — CN disclosed
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