SCHEMBL6953804

SCHEMBL6953804

CCCCCn1nc(C(=O)NCCN2CCNCC2)c2ccccc21

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 8/20 0.56
CNR2 P34972 8/20 0.56
KDM4E B2RXH2 1/20 0.48
GAA P10253 1/20 0.48
HSD17B10 Q99714 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
HTR3A P46098 3/20 0.44
HTR4 Q13639 2/20 0.44
HTR1A P08908 1/20 0.43
DRD2 P14416 1/20 0.43
HTR2A P28223 1/20 0.43
ABCB1 P08183 1/20 0.42
HTR3E A5X5Y0 1/20 0.42
HTR3B O95264 1/20 0.42
HTR3D Q70Z44 1/20 0.42
HTR3C Q8WXA8 1/20 0.42

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
SCHEMBL6950902 0.93 HSD17B10 (0.51) CNR1CNR2KDM4EGAAHSD17B10
Hydrochloric Acid SCHEMBL6952970 0.92 KDM4E (0.53) CNR1CNR2KDM4EGAAHSD17B10
SCHEMBL6944919 0.91 CNR1 (0.58) CNR1CNR2MEN1KMT2ASMN1; SMN2
SCHEMBL6949382 0.90 CNR1 (0.57) CNR1CNR2KDM4EHSD17B10MEN1
SCHEMBL6950281 0.89 CNR1 (0.56) CNR1CNR2KDM4EHSD17B10MEN1
SCHEMBL6952236 0.86 CNR1 (0.54) CNR1CNR2KDM4EHTR4
SCHEMBL6948551 0.85 CNR1 (0.53) CNR1CNR2KDM4EHSD17B10MEN1
SCHEMBL6955741 0.84 MEN1 (0.53) CNR1CNR2KDM4EHSD17B10MEN1
SCHEMBL6948507 0.83 CNR1 (0.51) CNR1CNR2KDM4EHSD17B10MEN1
SCHEMBL6950861 0.83 KDM4E (0.49) CNR1CNR2KDM4EGAAHSD17B10

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0829474-B1 INDAZOLE DERIVATIVES HAVING MONOCYCLIC AMINO GROUP NISSHIN SEIFUN GROUP INC (JP) 2003-04-09 EP disclosed
US-6096746-A Indazole compound containing a monocyclic amine structure NISSHIN FLOUR MILLING CO., LTD. (JP) 2000-08-01 US disclosed
US-5945434-A TREATMENT OF GASTROINTESTINAL DISORDERS NISSHIN FLOUR MILLING CO., LTD. (JP) 1999-08-31 US disclosed
EP-0829474-A1 INDAZOLE DERIVATIVES HAVING MONOCYCLIC AMINO GROUP NISSHIN FLOUR MILLING CO., LTD. (JP) 1998-03-18 EP disclosed