SCHEMBL31662758

SCHEMBL31662758

Cc1ccncc1-c1cc(C2CCN(Cc3nc(C)c4cccnc4n3)CC2)n[nH]1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 10/20 0.42
AKT2 P31751 10/20 0.42
DRD2 P14416 3/20 0.40
DRD4 P21917 3/20 0.40
DRD3 P35462 2/20 0.40
WNT1 P04628 1/20 0.36
GRM4 Q14833 1/20 0.36
TLR9 Q9NR96 2/20 0.35
TLR8 Q9NR97 2/20 0.35
TLR7 Q9NYK1 2/20 0.35
PIM1 P11309 1/20 0.35
OPRM1 P35372 1/20 0.34
OPRK1 P41145 1/20 0.34
OPRL1 P41146 1/20 0.34
CTSS P25774 1/20 0.33

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
SCHEMBL31663134 0.76 DRD2 (0.47) AKT1AKT2DRD2DRD4DRD3
SCHEMBL31663092 0.76 DRD2 (0.47) AKT1AKT2DRD2DRD4DRD3
SCHEMBL31662946 0.73 PIM1 (0.41) AKT1AKT2DRD2DRD4DRD3
SCHEMBL31662653 0.73 DRD2 (0.47) AKT1AKT2DRD2DRD4DRD3
SCHEMBL31663111 0.73 DRD2 (0.45) AKT1AKT2DRD2DRD4DRD3
SCHEMBL31662757 0.73 DRD2 (0.39) DRD2DRD4DRD3TLR9TLR8
SCHEMBL31662847 0.71 DRD2 (0.44) AKT1AKT2DRD2DRD4DRD3
SCHEMBL31663193 0.71 DRD2 (0.50) AKT1AKT2DRD2DRD4DRD3
SCHEMBL31663408 0.70 DRD2 (0.46) AKT1AKT2DRD2DRD4DRD3
SCHEMBL31663004 0.68 DRD2 (0.45) AKT1AKT2DRD2DRD4DRD3

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 claimed