SCHEMBL20097366

SCHEMBL20097366

CCN(CC)Cc1cccc(CI)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.47
BCHE P06276 4/20 0.46
CYP1A2 P05177 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
GRIN2D O15399 2/20 0.43
GRIN3B O60391 2/20 0.43
GRIN1 Q05586 2/20 0.43
GRIN2A Q12879 2/20 0.43
GRIN2B Q13224 2/20 0.43
GRIN2C Q14957 2/20 0.43
GRIN3A Q8TCU5 2/20 0.43
KDM4E B2RXH2 1/20 0.43
TSHR P16473 2/20 0.42
MAPK1 P28482 1/20 0.42
AOC3 Q16853 1/20 0.40
ACHE P22303 1/20 0.40
CNR2 P34972 1/20 0.39
HTR1A P08908 1/20 0.39

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
SCHEMBL7766011 0.89 HRH3 (0.56) HRH3BCHECYP1A2CYP2D6CYP2C9
SCHEMBL9885275 0.83 HRH3 (0.50) HRH3BCHECYP1A2CYP2D6CYP2C9
SCHEMBL13181462 0.83 HRH3 (0.50) HRH3BCHECYP1A2CYP2D6CYP2C9
SCHEMBL26686942 0.82 TSHR (0.52) HRH3BCHECYP1A2CYP2D6CYP2C9
SCHEMBL23070463 0.80 GRIN2D (0.47) HRH3BCHECYP1A2CYP2D6CYP2C9
SCHEMBL3100416 0.80 HRH3 (0.47) HRH3BCHECYP1A2CYP2D6CYP2C9
SCHEMBL22764855 0.80 S1PR1 (0.55) HRH3BCHECYP1A2CYP2D6CYP2C9
SCHEMBL29808986 0.80 GRIN2D (0.47) HRH3BCHECYP1A2CYP2D6CYP2C9
SCHEMBL15304957 0.79 ALDH1A1 (0.54) HRH3GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL18165002 0.79 BCHE (0.53) HRH3BCHECYP1A2CYP2D6CYP2C9

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
EP-3528808-B1 METHODS OF USING INDAZOLE-3-CARBOXAMIDES AND THEIR USE AS WNT/B-CATENIN SIGNALING PATHWAY INHIBITORS BIOSPLICE THERAPEUTICS INC (US) 2021-10-06 EP disclosed
WO-2018075858-A1 METHODS OF USING INDAZOLE-3-CARBOXAMIDES AND THEIR USE AS WNT/B-CATENIN SIGNALING PATHWAY INHIBITORS SAMUMED, LLC (US) 2018-04-26 WO disclosed