SCHEMBL26242514

SCHEMBL26242514

Cc1nnc(-c2ccc(F)cn2)c(C)c1C

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC34A1 Q06495 7/20 0.36
CACNA2D1 P54289 1/20 0.35
GRM5 P41594 3/20 0.35
CSNK1D P48730 2/20 0.34
MAPK14 Q16539 2/20 0.34
GABRA5 P31644 2/20 0.33
CCR1 P32246 1/20 0.33
CCR5 P51681 1/20 0.33
CCR8 P51685 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
HDAC4 P56524 1/20 0.33
P2RX7 Q99572 1/20 0.32
TGFBR1 P36897 2/20 0.32

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
SCHEMBL26242512 0.73 ADORA2A (0.44) CACNA2D1CSNK1DMAPK14
SCHEMBL811754 0.71 GRM5 (0.47) GRM5MAPK14CCR1CCR5CCR8
SCHEMBL26242534 0.70 KDM4E (0.50) CCR1CCR5CCR8
SCHEMBL20075491 0.70 SLC34A1 (0.47) SLC34A1GRM5CSNK1DMAPK14TGFBR1
SCHEMBL21711425 0.68 CSNK1D (0.36) SLC34A1GRM5CSNK1DMAPK14GABRA5
SCHEMBL25551871 0.68 CSNK1D (0.40) SLC34A1GRM5CSNK1DMAPK14GABRA5
SCHEMBL30036913 0.68 CSNK1D (0.40) SLC34A1GRM5CSNK1DMAPK14GABRA5
SCHEMBL13830491 0.68 NPC1 (0.41) GRM5MAPK14CCR1CCR5CCR8
SCHEMBL25323378 0.67 SLC34A1 (0.42) SLC34A1GRM5CSNK1DMAPK14TGFBR1
SCHEMBL12668067 0.66 KDM4E (0.41)

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-2023150201-A2 SODIUM CHANNEL BLOCKING COMPOUNDS, DERIVATIVES THEREOF, AND METHODS OF THEIR USE LATIGO BIOTHERAPEUTICS, INC. (US) 2023-08-10 WO disclosed