SCHEMBL25820267

SCHEMBL25820267

Cc1cnc2c(c1)CC(O)N2

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NNMT P40261 2/20 0.42
CCR1 P32246 1/20 0.31
CCR5 P51681 1/20 0.31
CCR8 P51685 1/20 0.31
NOS3 P29474 1/20 0.31
NOS1 P29475 1/20 0.31
NOS2 P35228 1/20 0.31
DRD2 P14416 1/20 0.30
DRD1 P21728 1/20 0.30

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
SCHEMBL22791692 0.83 DRD2 (0.36) NNMTDRD2DRD1
SCHEMBL21729487 0.80 NNMT (0.58) NNMTCCR1CCR5CCR8NOS3
SCHEMBL7914306 0.80 NNMT (0.58) NNMTCCR1CCR5CCR8NOS3
SCHEMBL23016933 0.79 NNMT (0.39) NNMT
SCHEMBL21745578 0.70 NNMT (0.41) NNMTDRD2DRD1
SCHEMBL23938133 0.70 NNMT (0.41) NNMTDRD2DRD1
SCHEMBL6466846 0.68 NNMT (0.39) NNMT
SCHEMBL12071345 0.68 NNMT (0.33) NNMTDRD2DRD1
SCHEMBL23788032 0.67 HTR5A (0.38)
SCHEMBL19154272 0.66

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-2023133413-A1 MULTICYCLIC COMPOUNDS SLAP PHARMACEUTICALS LLC (US) 2023-07-13 WO disclosed