SCHEMBL28823725

SCHEMBL28823725

N#Cc1ccc2c(c1)CCCNC2C=O

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 6/20 0.42
PNMT P11086 6/20 0.40
DRD2 P14416 3/20 0.40
DRD3 P35462 3/20 0.40
HTR6 P50406 1/20 0.39
KDM1A O60341 1/20 0.39
CHRNA1 P02708 1/20 0.38
CHRNG P07510 1/20 0.38
CHRNB1 P11230 1/20 0.38
CHRNB2 P17787 1/20 0.38
CHRNB4 P30926 1/20 0.38
CHRNA3 P32297 1/20 0.38
CHRNA4 P43681 1/20 0.38
CHRND Q07001 1/20 0.38
PPARD Q03181 1/20 0.37
PPARA Q07869 1/20 0.37
CYP19A1 P11511 1/20 0.36
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36

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
SCHEMBL28823682 0.81 HTR2C (0.43) PNMTKDM1A
SCHEMBL28823708 0.81 CAMK2A (0.47) PNMTKDM1A
SCHEMBL28823672 0.78 HTR2C (0.49) KDM1ACYP19A1
SCHEMBL28967711 0.76 PRCP (0.42)
SCHEMBL2723160 0.76 HTR6 (0.55) LRRK2PNMTDRD2DRD3HTR6
SCHEMBL28823799 0.75 PPARD (0.41) PPARDPPARA
SCHEMBL28823734 0.75 CA1 (0.50) CHRNB2CHRNA4PPARDPPARA
SCHEMBL14893898 0.72 HTR6 (0.45) LRRK2PNMTDRD2DRD3HTR6
SCHEMBL17732769 0.71 KDM1A (0.43) DRD2DRD3KDM1A
SCHEMBL28770047 0.71 ADRA2A (0.41) PNMTDRD2KDM1A

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-114929691-A Bicyclic compounds and uses thereof 爱思开生物制药株式会社 2022-08-19 CN disclosed