SCHEMBL2576197

SCHEMBL2576197

[CH]1CN(C2CCCNC2)C1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 2/20 0.50
HTR3E A5X5Y0 1/20 0.36
HTR3B O95264 1/20 0.36
HTR2B P41595 1/20 0.36
HTR3A P46098 1/20 0.36
TMEM97 Q5BJF2 1/20 0.36
HTR3D Q70Z44 1/20 0.36
HTR3C Q8WXA8 1/20 0.36
SLC6A1 P30531 2/20 0.33
SLC6A11 P48066 1/20 0.33
TSHR P16473 1/20 0.33
LMNA P02545 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
SLC6A13 Q9NSD5 1/20 0.33
ARG1 P05089 1/20 0.33
ARG2 P78540 1/20 0.33
APLNR P35414 2/20 0.32
KDM4E B2RXH2 1/20 0.32
MAPT P10636 1/20 0.32
KMT2A Q03164 1/20 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
SCHEMBL1130038 0.86
SCHEMBL23363024 0.83 HTR6 (0.52) HTR6HTR3EHTR3BHTR2BHTR3A
SCHEMBL1892359 0.79 HTR6 (0.57) HTR6HTR3EHTR3BHTR2BHTR3A
SCHEMBL2328636 0.77 HTR6 (0.79) HTR6HTR3EHTR3BHTR2BHTR3A
SCHEMBL12730878 0.77 HTR6 (0.72) HTR6HTR3EHTR3BHTR2BHTR3A
SCHEMBL20744604 0.77 HTR6 (0.79) HTR6HTR3EHTR3BHTR2BHTR3A
SCHEMBL20744481 0.77 HTR6 (0.72) HTR6HTR3EHTR3BHTR2BHTR3A
SCHEMBL4540009 0.76
SCHEMBL20758423 0.76 HTR6 (0.76) HTR6HTR3EHTR3BHTR2BHTR3A
Hydrochloric Acid SCHEMBL16110484 0.76 HTR6 (0.76) HTR6HTR3EHTR3BHTR2BHTR3A

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-2560962-A1 INDAZOLE COMPOUNDS USEFUL AS KETOHEXOKINASE INHIBITORS Janssen Pharmaceutica NV (BE) 2013-02-27 EP disclosed
WO-2011133750-A1 INDAZOLE COMPOUNDS USEFUL AS KETOHEXOKINASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2011-10-27 WO disclosed