SCHEMBL29580085

SCHEMBL29580085

N#Cc1ccc2c(c1)CCNC2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 1.00
DRD3 P35462 2/20 1.00
PNMT P11086 10/20 0.86
ASIC3 Q9UHC3 2/20 0.56
PLAU P00749 1/20 0.51
CD44 P16070 1/20 0.50
MAOB P27338 1/20 0.50
ADRA2A P08913 1/20 0.47
ADRA2B P18089 1/20 0.47
ADRA2C P18825 1/20 0.47

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
SCHEMBL1638541 1.00 DRD2 (1.00) DRD2DRD3PNMTASIC3PLAU
Hydrochloric Acid SCHEMBL30015379 0.98 DRD2 (0.96) DRD2DRD3PNMTASIC3PLAU
Hydrochloric Acid SCHEMBL4224148 0.98 DRD2 (0.96) DRD2DRD3PNMTASIC3PLAU
SCHEMBL351435 0.92 PNMT (1.00) DRD2DRD3PNMTCD44MAOB
SCHEMBL29365632 0.92 PNMT (1.00) DRD2DRD3PNMTCD44MAOB
Hydrochloric Acid SCHEMBL65520 0.91 PNMT (0.96) DRD2DRD3PNMTCD44MAOB
SCHEMBL24265308 0.89 DRD2 (0.80) DRD2DRD3PNMTASIC3PLAU
SCHEMBL29758915 0.89 DRD2 (0.80) DRD2DRD3PNMTASIC3PLAU
SCHEMBL4033305 0.88 PNMT (0.79) DRD2DRD3PNMT
Hydrochloric Acid SCHEMBL21753256 0.86 PNMT (0.76) DRD2DRD3PNMT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111655695-B Substituted furopyrimidine compounds as PDE1 inhibitors 达特神经科学有限公司 2025-05-27 CN disclosed
CN-119948023-A Regulator containing piperidine polycyclic derivative, preparation method and application thereof 上海翰森生物医药科技有限公司 2025-05-06 CN disclosed
CN-118451079-A Benzopiperidine derivative modulators, methods of preparation and uses thereof 上海翰森生物医药科技有限公司 2024-08-06 CN disclosed