SCHEMBL22545239

SCHEMBL22545239

Nc1ccnc(C2COC2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ASIC3 Q9UHC3 2/20 0.40
ADORA2A P29274 2/20 0.33
ADORA1 P30542 2/20 0.33
CHRM1 P11229 2/20 0.31
GRIN2D O15399 1/20 0.31
GRIN3B O60391 1/20 0.31
ADRA1D P25100 1/20 0.31
ADRA1A P35348 1/20 0.31
ADRA1B P35368 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
HDAC3 O15379 1/20 0.31
HDAC4 P56524 1/20 0.31
HDAC7 Q8WUI4 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
HDAC9 Q9UKV0 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
SCHEMBL30856759 1.00 ASIC3 (0.40) ASIC3ADORA2AADORA1CHRM1GRIN2D
SCHEMBL23365116 0.86 PIK3CD (0.36) ASIC3ADORA2AADORA1MAPK1
SCHEMBL29979707 0.86 PIK3CD (0.36) ASIC3ADORA2AADORA1MAPK1
SCHEMBL3388660 0.82 ASIC3 (0.44) ASIC3ADORA2AADORA1CHRM1GRIN2D
SCHEMBL12068738 0.82 ADORA2A (0.45) ASIC3ADORA2AADORA1CHRM1GRIN2D
SCHEMBL5559958 0.81 PIK3CD (0.43) ASIC3ADORA2AADORA1HDAC3HDAC4
SCHEMBL4183278 0.78 CHRNA7 (0.42) ASIC3ADORA2AADORA1HDAC3HDAC4
SCHEMBL18957072 0.78 CHRNA7 (0.46) ASIC3ADORA2AADORA1HDAC3HDAC4
SCHEMBL29851723 0.78 CHRNA7 (0.46) ASIC3ADORA2AADORA1HDAC3HDAC4
SCHEMBL27470894 0.78 ASIC3 (0.41) ASIC3ADORA2AADORA1CHRM1GRIN2D

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-2026101724-A1 AMINO PYRIMIDINE AND AMINO TRIAZINE ANALOGS FOR TREATING CANCER NEREID THERAPEUTICS INCORPORATED (US) 2026-05-15 WO disclosed
WO-2020210380-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF NUVATION BIO INC. (US) 2020-10-15 WO disclosed