SCHEMBL31663329

SCHEMBL31663329

Cc1nc(CN2CCC(c3cc(-c4cncc(N5CCOCC5)c4)[nH]n3)CC2)nc2ccccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 1/20 0.46
DRD2 P14416 3/20 0.42
DRD4 P21917 3/20 0.42
DRD3 P35462 3/20 0.42
AHR P35869 1/20 0.41
KDM4E B2RXH2 3/20 0.41
ALDH1A1 P00352 3/20 0.41
MAPT P10636 2/20 0.41
GAA P10253 2/20 0.41
NPC1 O15118 1/20 0.41
HCRTR1 O43613 1/20 0.41
LMNA P02545 1/20 0.41
RAB9A P51151 1/20 0.41
HPGD P15428 2/20 0.38
MAPK1 P28482 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
PRMT5 O14744 1/20 0.38
WDR77 Q9BQA1 1/20 0.38
SMN1; SMN2 Q16637 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
SCHEMBL31663004 0.83 DRD2 (0.45) DRD2DRD4DRD3KDM4EALDH1A1
SCHEMBL31663134 0.83 DRD2 (0.47) DRD2DRD4DRD3MAPTLMNA
SCHEMBL31663092 0.83 DRD2 (0.47) DRD2DRD4DRD3MAPTLMNA
SCHEMBL31663408 0.79 DRD2 (0.46) DRD2DRD4DRD3ALDH1A1HPGD
SCHEMBL31662653 0.79 DRD2 (0.47) DRD2DRD4DRD3ALDH1A1HPGD
SCHEMBL31663193 0.76 DRD2 (0.50) DRD2DRD4DRD3KDM4EALDH1A1
SCHEMBL31662792 0.74 DRD2 (0.47) DRD2DRD4DRD3KDM4EALDH1A1
SCHEMBL31663111 0.74 DRD2 (0.45) DRD2DRD4DRD3KDM4EALDH1A1
SCHEMBL31662847 0.72 DRD2 (0.44) DRD2DRD4DRD3KDM4EALDH1A1
SCHEMBL31662760 0.71 DRD2 (0.45) DRD2DRD4DRD3ALDH1A1LMNA

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
WO-2025149628-A1 PIPERIDINE DERIVATIVES AS INHIBITORS OF NICOTINAMIDE N-METHYL TRANSFERASE ASTRAZENECA AB (SE) 2025-07-17 WO disclosed