SCHEMBL8094252

SCHEMBL8094252

CCCN(CCC)[C@@H]1CCc2ccc(NS(=O)(=O)c3ccc(C#N)cc3)cc2C1

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 9/20 0.54
DRD2 P14416 8/20 0.54
HTR2A P28223 1/20 0.54
HTR2C P28335 1/20 0.54
HTR6 P50406 1/20 0.54
DRD4 P21917 4/20 0.50
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
CYP2D6 P10635 2/20 0.49
HTR1A P08908 1/20 0.49
ADRB2 P07550 1/20 0.49
CASP1 P29466 1/20 0.49
LMNA P02545 2/20 0.48
MAPT P10636 1/20 0.48
MLNR O43193 1/20 0.47
CYP2C9 P11712 1/20 0.47
BRD4 O60885 1/20 0.46

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
SCHEMBL8094256 1.00 DRD3 (0.54) DRD3DRD2HTR2AHTR2CHTR6
SCHEMBL7405930 0.87 DRD3 (0.55) DRD3DRD2HTR2AHTR2CHTR6
SCHEMBL7405925 0.87 DRD3 (0.55) DRD3DRD2HTR2AHTR2CHTR6
SCHEMBL7408200 0.85 DRD3 (0.54) DRD3DRD2DRD4MEN1KMT2A
SCHEMBL7408204 0.85 DRD3 (0.54) DRD3DRD2DRD4MEN1KMT2A
SCHEMBL4112328 0.82 DRD3 (0.55) DRD3DRD2DRD4MEN1KMT2A
SCHEMBL4119788 0.82 DRD3 (0.55) DRD3DRD2DRD4MEN1KMT2A
SCHEMBL4112321 0.82 DRD3 (0.55) DRD3DRD2DRD4MEN1KMT2A
SCHEMBL9776785 0.82 DRD3 (0.62) DRD3DRD2DRD4MEN1KMT2A
SCHEMBL9752129 0.81 DRD2 (0.65) DRD3DRD2DRD4MEN1KMT2A

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-6084130-A FOR TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS PHARMACIA & UPJOHN COMPANY (US) 2000-07-04 US disclosed