SCHEMBL7400323

SCHEMBL7400323

CCc1ccc2cccc(OC)c2n1.[Li]CCCC

nearest known ligand 0.52

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 11/20 0.52
MCHR1 Q99705 4/20 0.48
PARP1 P09874 1/20 0.43
TLR8 Q9NR97 1/20 0.40

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
SCHEMBL2840650 0.88 PDE10A (0.63) PDE10AMCHR1PARP1
SCHEMBL18668570 0.81 PDE10A (0.63) PDE10AMCHR1TLR8
SCHEMBL16151253 0.80 PDE10A (0.62) PDE10AMCHR1TLR8
SCHEMBL10063391 0.80 MCHR1 (0.68) PDE10AMCHR1PARP1
SCHEMBL18682211 0.79 PDE10A (0.68) PDE10AMCHR1
SCHEMBL4389390 0.77 PDE10A (0.70) PDE10AMCHR1
SCHEMBL4388489 0.77 PDE10A (0.79) PDE10AMCHR1
SCHEMBL7453345 0.74 PDE10A (0.61) PDE10AMCHR1
SCHEMBL3277356 0.74 PDE10A (0.61) PDE10AMCHR1
SCHEMBL27811623 0.74 PDE10A (0.53) PDE10AMCHR1PARP1

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-0952832-A1 QUINOLINE CARBOXAMIDES AS TNF INHIBITORS AND AS PDE-IV INHIBITORS Darwin Discovery Limited (GB) 1999-11-03 EP disclosed
WO-1997044036-A1 QUINOLINE CARBOXAMIDES AS TNF INHIBITORS AND AS PDE-IV INHIBITORS DARWIN DISCOVERY LIMITED (GB) 1997-11-27 WO disclosed