SCHEMBL6951920

SCHEMBL6951920

CCC(C)n1nc(C(=O)NCCN2CCNCC2)c2ccccc21

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR4 Q13639 18/20 0.55
KCNH2 Q12809 3/20 0.51
HTR2A P28223 5/20 0.49
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

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
SCHEMBL6953798 0.91 HTR4 (0.53) HTR4KCNH2HTR2AKDM4EGAA
SCHEMBL7391976 0.91 HTR4 (0.66) HTR4KCNH2HTR2A
SCHEMBL6957277 0.90 HTR4 (0.53) HTR4KCNH2HTR2AKDM4EHSD17B10
SCHEMBL6946867 0.88 HTR4 (0.52) HTR4KCNH2HTR2A
SCHEMBL8173566 0.86 HTR4 (0.61) HTR4KCNH2HTR2AKDM4E
SCHEMBL6950902 0.82 HSD17B10 (0.51) HTR4KCNH2KDM4EGAAHSD17B10
Hydrochloric Acid SCHEMBL6952970 0.82 KDM4E (0.53) HTR4KCNH2KDM4EGAAHSD17B10
SCHEMBL6949375 0.81 HTR4 (0.52) HTR4KCNH2HTR2AKDM4EHSD17B10
Hydrochloric Acid SCHEMBL7393717 0.80 HTR4 (0.65) HTR4KCNH2HTR2A
SCHEMBL6953804 0.80 CNR1 (0.56) HTR4HTR2AKDM4EGAAHSD17B10

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