SCHEMBL24628686

SCHEMBL24628686

Oc1cc(C#Cc2ccccc2)c2c(c1)CCNC2

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.39
DRD1 P21728 2/20 0.39
PRCP P42785 1/20 0.39
GRM5 P41594 2/20 0.39
PNMT P11086 5/20 0.39
CD44 P16070 1/20 0.38
MAOB P27338 1/20 0.38
DRD4 P21917 1/20 0.36
DRD5 P21918 1/20 0.36
DRD3 P35462 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
SCHEMBL24628702 0.71 GRM5 (0.39) DRD2DRD1GRM5DRD4DRD5
SCHEMBL20522616 0.70 PNMT (0.52) DRD2DRD1PNMTCD44MAOB
SCHEMBL17462463 0.69 PNMT (0.50) DRD2DRD1PNMTCD44MAOB
Bromide SCHEMBL30254921 0.69 PNMT (0.50) DRD2DRD1PNMTCD44MAOB
SCHEMBL15503204 0.67 PNMT (0.49) DRD2DRD1PNMT
SCHEMBL15503053 0.67 PNMT (0.49) DRD2DRD1PNMT
SCHEMBL31013896 0.67 PNMT (0.49) DRD2DRD1PNMT
SCHEMBL24629247 0.66 KDM4E (0.38) GRM5
Bromide SCHEMBL15515105 0.66 PNMT (0.47) DRD2DRD1PNMT
SCHEMBL20211704 0.63 APP (0.60) GRM5

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4276092-A1 COMPOUND LIBRARY CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2023-11-15 EP disclosed
WO-2022149617-A1 COMPOUND LIBRARY 中外製薬株式会社 2022-07-14 WO disclosed