SCHEMBL6823828

SCHEMBL6823828

N#Cc1cccc(-c2cc(C3CCCCC3)oc(=O)c2)c1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PGR P06401 7/20 0.46
MCOLN3 Q8TDD5 1/20 0.43
DRD2 P14416 2/20 0.40
DRD3 P35462 2/20 0.40
USP30 Q70CQ3 3/20 0.38
PRKDC P78527 1/20 0.38
SLC6A2 P23975 1/20 0.38
SLC6A3 Q01959 1/20 0.38
TSHR P16473 1/20 0.38
HRH3 Q9Y5N1 1/20 0.37
CHRM2 P08172 1/20 0.37
CHRM4 P08173 1/20 0.37
CHRM5 P08912 1/20 0.37
CHRM1 P11229 1/20 0.37
CHRM3 P20309 1/20 0.37

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
SCHEMBL6829543 0.85 PGR (0.43) PGRPRKDCHRH3
SCHEMBL18696087 0.81 CYP1B1 (0.46) PGR
SCHEMBL6827392 0.80 MAOA (0.39)
SCHEMBL6827239 0.79 CYP1B1 (0.43) PGRPRKDC
SCHEMBL6827432 0.77 GRM5 (0.38)
SCHEMBL6824851 0.74 CYP1B1 (0.40) SLC6A2TSHR
SCHEMBL6827470 0.73 NQO2 (0.47) TSHR
SCHEMBL6827164 0.73 NPC1 (0.41) PGRPRKDC
SCHEMBL6827064 0.72 MCOLN3 (0.42) PGRMCOLN3DRD2DRD3USP30
SCHEMBL6824842 0.72 GRM5 (0.34)

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-2004050624-A1 SUBSTITUTED 1H-PYRIDINE-2-ONE DERIVATIVES C & C RESEARCH LABORATORIES (KR) 2004-06-17 WO disclosed