SCHEMBL28293243

SCHEMBL28293243

CC(C)Nc1cnc(Cl)cn1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 1/20 0.42
TRPM8 Q7Z2W7 1/20 0.36
GAA P10253 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
EDNRA P25101 1/20 0.33
KAT2B Q92831 1/20 0.33
SIRT6 Q8N6T7 1/20 0.32
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
POLB P06746 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
CCNT1 O60563 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
MAPK14 Q16539 1/20 0.31
MAPKAPK2 P49137 1/20 0.30
CDK2 P24941 1/20 0.30
PDE10A Q9Y233 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
SCHEMBL5044824 0.76 HCAR3 (0.43) HCAR3TRPM8PDE10A
SCHEMBL15382065 0.76 HCAR3 (0.43) HCAR3TRPM8EDNRAALDH1A1SMN1; SMN2
SCHEMBL15718387 0.75
SCHEMBL30206305 0.75
SCHEMBL26866959 0.74 HCAR3 (0.42) HCAR3TRPM8PDE10A
SCHEMBL26614830 0.74 GPR55 (0.52)
SCHEMBL26614828 0.74 GPR55 (0.52)
SCHEMBL18053163 0.74 CHEK1 (0.45) HCAR3MAPKAPK2CDK2
Hydrochloric Acid SCHEMBL28583898 0.73 NNMT (0.39) HCAR3EDNRASIRT6
SCHEMBL15781883 0.72 HCAR3 (0.44) HCAR3TRPM8GAATDP1KAT2B

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-106103421-B The pyrazine regulator of GPR6 武田药品工业株式会社 2019-04-09 CN disclosed