SCHEMBL22993429

SCHEMBL22993429

Cc1cnc2c(c1)CCN(CC(F)F)C2

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.35
KLKB1 P03952 1/20 0.35
PRMT5 O14744 9/20 0.34
MAPT P10636 1/20 0.33
WEE1 P30291 1/20 0.33
GPR6 P46095 1/20 0.33
WDR77 Q9BQA1 5/20 0.33
ASIC3 Q9UHC3 1/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
PTPN2 P17706 1/20 0.32
GRIN2D O15399 1/20 0.31
GRIN3B O60391 1/20 0.31
GRIN1 Q05586 1/20 0.31
GRIN2A Q12879 1/20 0.31
GRIN2B Q13224 1/20 0.31
GRIN2C Q14957 1/20 0.31
GRIN3A Q8TCU5 1/20 0.31

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
SCHEMBL26032299 0.90 POLB (0.41) POLBPRMT5MAPTGPR6WDR77
SCHEMBL24253261 0.81 POLB (0.38) POLBKLKB1PRMT5MAPTWEE1
SCHEMBL26032152 0.75 PRMT5 (0.46) POLBPRMT5WDR77ASIC3MEN1
SCHEMBL16181313 0.73 MAOA (0.41) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL22993434 0.73 HRH3 (0.35) KLKB1MAPTGRIN2DGRIN3BGRIN1
SCHEMBL26640563 0.72 POLB (0.38) POLBPRMT5MAPTWEE1WDR77
SCHEMBL22993427 0.72 AVPR2 (0.31)
SCHEMBL25976005 0.71 HRH3 (0.41) PRMT5WDR77ASIC3MEN1KMT2A
SCHEMBL24253317 0.70 PTPN2 (0.32) POLBPTPN2
SCHEMBL21626710 0.70 LMNA (0.32)

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
WO-2021028645-A1 PLASMA KALLIKREIN INHIBITORS KALVISTA PHARMACEUTICALS LIMITED (GB) 2021-02-18 WO disclosed
WO-2021028649-A1 PLASMA KALLIKREIN INHIBITORS KALVISTA PHARMACEUTICALS LIMITED (GB) 2021-02-18 WO disclosed