SCHEMBL30101013

SCHEMBL30101013

[2H]C1([2H])COC(c2csc(Cl)c2)CN1

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.33
DRD3 P35462 1/20 0.33
HTR1A P08908 1/20 0.31
SLC6A3 Q01959 1/20 0.31
KCNH2 Q12809 1/20 0.31
TAAR1 Q96RJ0 1/20 0.31

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
SCHEMBL27892863 0.84 DRD2 (0.48) DRD2DRD3HTR1A
SCHEMBL31116731 0.73 DRD2 (0.49) DRD2DRD3HTR1ASLC6A3
SCHEMBL30101005 0.71 KIF11 (0.31)
SCHEMBL30373416 0.70 DRD2 (0.35) DRD2DRD3HTR1A
SCHEMBL30374018 0.70 TSHR (0.47) DRD2DRD3HTR1A
SCHEMBL30373783 0.68 DRD2 (0.36) DRD2DRD3HTR1A
SCHEMBL31116696 0.68
SCHEMBL31116756 0.68
SCHEMBL31116767 0.68 DRD2 (0.43) DRD2DRD3HTR1A
SCHEMBL31116699 0.67 DRD2 (0.49) DRD2DRD3HTR1ASLC6A3

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-115433205-A Polycyclic derivative receptor agonist, preparation method and application thereof 上海翰森生物医药科技有限公司 2022-12-06 CN disclosed