SCHEMBL828394

SCHEMBL828394

O=C(O)N(c1ccc2cc(-c3ccccc3C(F)(F)F)[nH]c(=O)c2c1)C1CCCCC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.40
PDE10A Q9Y233 1/20 0.37
ABL1 P00519 1/20 0.36
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
TRPM8 Q7Z2W7 1/20 0.35
ALDH1A1 P00352 3/20 0.35
MLYCD O95822 1/20 0.35
C1R P00736 1/20 0.34
PIK3C3 Q8NEB9 3/20 0.34
NPY5R Q15761 1/20 0.34
KDM4E B2RXH2 3/20 0.34
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
NPC1 O15118 1/20 0.34
MITF O75030 1/20 0.34
RAB9A P51151 1/20 0.34
PAX8 Q06710 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34

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
SCHEMBL828190 0.85 FFAR1 (0.39) FFAR1PDE10AABL1CYP3A4CYP2C9
SCHEMBL826935 0.79 FFAR1 (0.44) FFAR1PDE10AALDH1A1C1RPIK3C3
SCHEMBL826952 0.79 FFAR1 (0.46) FFAR1PDE10AALDH1A1C1RPIK3C3
SCHEMBL828994 0.79 FFAR1 (0.41) FFAR1PDE10AALDH1A1C1RPIK3C3
SCHEMBL827287 0.78 FFAR1 (0.43) FFAR1PDE10AALDH1A1C1RPIK3C3
SCHEMBL827900 0.78 FFAR1 (0.43) FFAR1PDE10AALDH1A1C1RPIK3C3
SCHEMBL827978 0.78 FFAR1 (0.42) FFAR1PDE10AALDH1A1C1RPIK3C3
SCHEMBL828396 0.77 FFAR1 (0.41) FFAR1PDE10AC1RPIK3C3KMT2A
SCHEMBL828548 0.77 FFAR1 (0.42) FFAR1PDE10AALDH1A1C1RPIK3C3
SCHEMBL828049 0.77 FFAR1 (0.42) FFAR1PDE10AALDH1A1C1RPIK3C3

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
US-8143274-B2 1-(2H)-isoquinolone derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2012-03-27 US disclosed