SCHEMBL29119679

SCHEMBL29119679

CNc1cnn(CC2CCN(C)CC2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK7 Q13164 1/20 0.45
HDAC1 Q13547 1/20 0.43
HDAC2 Q92769 1/20 0.43
RPS6KA2 Q15349 1/20 0.43
TAS2R8 Q9NYW2 1/20 0.40
HRH3 Q9Y5N1 2/20 0.37
CHRM3 P20309 2/20 0.37
HRH4 Q9H3N8 1/20 0.37
KDM1A O60341 2/20 0.37
TLR7 Q9NYK1 1/20 0.37
FGFR1 P11362 1/20 0.36
FGFR2 P21802 1/20 0.36
FGFR4 P22455 1/20 0.36
FGFR3 P22607 1/20 0.36
KDR P35968 1/20 0.36
FLT3 P36888 1/20 0.36
AXL P30530 1/20 0.35
ALOX15 P16050 1/20 0.35
SCD5 Q86SK9 1/20 0.34
NCF1 P14598 1/20 0.34

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
SCHEMBL29119723 0.88 ACHE (0.42) MAPK7HDAC1HDAC2RPS6KA2TAS2R8
Hydrochloric Acid SCHEMBL28529636 0.84 TAS2R8 (0.41) MAPK7RPS6KA2TAS2R8HRH4KDM1A
SCHEMBL12093358 0.80 HDAC1 (0.43) MAPK7HDAC1HDAC2RPS6KA2HRH3
Hydrochloric Acid SCHEMBL28530896 0.78 JAK2 (0.41) MAPK7HDAC1HDAC2TAS2R8KDM1A
SCHEMBL29741306 0.78 HDAC1 (0.42) MAPK7HDAC1HDAC2RPS6KA2HRH3
SCHEMBL1703769 0.78 HDAC1 (0.47) MAPK7HDAC1HDAC2RPS6KA2HRH3
SCHEMBL1582109 0.78 HDAC1 (0.42) MAPK7HDAC1HDAC2RPS6KA2HRH3
SCHEMBL12089573 0.77 HDAC1 (0.42) MAPK7HDAC1HDAC2RPS6KA2HRH3
Hydrochloric Acid SCHEMBL28522391 0.76 TAS2R8 (0.42) TAS2R8HRH4KDM1AFGFR1FGFR2
SCHEMBL24493320 0.76 HDAC1 (0.43) MAPK7HDAC1HDAC2RPS6KA2HRH3

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
CN-116745278-A Enzyme inhibitors 卡尔维斯塔制药有限公司 2023-09-12 CN disclosed