SCHEMBL8709286

SCHEMBL8709286

Clc1cccc(CN2CC=C(c3nc4ccc(Cl)cc4[nH]3)CC2)c1

nearest known ligand 0.88

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 13/20 0.88
DRD3 P35462 10/20 0.88
DRD2 P14416 8/20 0.88
HTR6 P50406 1/20 0.50
OPRM1 P35372 1/20 0.49
OPRK1 P41145 1/20 0.49
ALDH1A1 P00352 2/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
GAA P10253 1/20 0.43
ATM Q13315 1/20 0.43
KDM4E B2RXH2 1/20 0.43
TP53 P04637 1/20 0.43
CYP3A4 P08684 1/20 0.43
MAPT P10636 1/20 0.43
HPGD P15428 1/20 0.43
MAPK1 P28482 1/20 0.43
HSD17B10 Q99714 1/20 0.43
FTO Q9C0B1 1/20 0.43
SIGMAR1 Q99720 1/20 0.43

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
SCHEMBL8709397 0.94 DRD4 (1.00) DRD4DRD3DRD2HTR6OPRM1
SCHEMBL8709280 0.92 DRD4 (0.74) DRD4DRD3DRD2HTR6OPRM1
SCHEMBL8705140 0.91 DRD4 (1.00) DRD4DRD3DRD2HTR6OPRM1
SCHEMBL8704281 0.89 DRD4 (0.71) DRD4DRD3DRD2HTR6OPRM1
SCHEMBL8709395 0.85 DRD4 (0.84) DRD4DRD3DRD2HTR6OPRM1
SCHEMBL8704454 0.84 DRD4 (0.79) DRD4DRD3DRD2HTR6OPRM1
SCHEMBL8704278 0.83 DRD4 (0.62) DRD4DRD3DRD2HTR6OPRM1
SCHEMBL8705132 0.82 DRD4 (0.83) DRD4DRD3DRD2HTR6OPRM1
SCHEMBL8708195 0.82 DRD4 (1.00) DRD4DRD3DRD2HTR6OPRM1
SCHEMBL8704932 0.81 DRD4 (1.00) DRD4DRD3DRD2HTR6OPRM1

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-5849765-A Tetrahydropyridine derivatives as dopamine receptor subtype ligands MERCK SHARP & DOHME, LTD. (GB) 1998-12-15 US disclosed