SCHEMBL30716653

SCHEMBL30716653

CS(=O)(=O)N1CCC(n2cnc(-c3ccc(F)cc3)c2)CC1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.46
DRD2 P14416 1/20 0.45
DRD4 P21917 1/20 0.45
DRD3 P35462 1/20 0.45
KDM2B Q8NHM5 1/20 0.43
TDO2 P48775 2/20 0.41
TP53 P04637 1/20 0.40
CYP11B2 P19099 4/20 0.40
CYP11B1 P15538 3/20 0.40
ASH1L Q9NR48 1/20 0.40
IKBKB O14920 1/20 0.40
ENPP2 Q13822 1/20 0.40
SCN9A Q15858 1/20 0.40
DPP4 P27487 1/20 0.40
DPP8 Q6V1X1 1/20 0.40
DPP9 Q86TI2 1/20 0.40
DPP7 Q9UHL4 1/20 0.40
PRCP P42785 1/20 0.39
NPY5R Q15761 1/20 0.39

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
SCHEMBL3478611 0.84 KDM2B (0.54) DRD2DRD4DRD3KDM2B
SCHEMBL15830635 0.82 DRD2 (0.50) MAPK1DRD2DRD4DRD3KDM2B
SCHEMBL15824772 0.79 KDM2B (0.49) MAPK1DRD2DRD4DRD3KDM2B
SCHEMBL15824627 0.76 MAPK14 (0.46) DRD2DRD4DRD3KDM2B
SCHEMBL15830662 0.75 GPR119 (0.49)
SCHEMBL27670317 0.74 DRD2 (0.42) DRD2DRD4DRD3KDM2B
SCHEMBL30716678 0.74 DRD2 (0.43) MAPK1DRD2DRD4DRD3KDM2B
SCHEMBL27670316 0.73 GRM5 (0.41) DRD2DRD4DRD3KDM2BTP53
SCHEMBL28769966 0.72 KDM2B (0.41) DRD2DRD4DRD3KDM2B
SCHEMBL28774040 0.72 KDM2B (0.41) DRD2DRD4DRD3KDM2B

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
CN-111936496-B Heterocyclic compounds useful as medicaments 马萨里克大学 2023-12-29 CN disclosed