SCHEMBL6946844

SCHEMBL6946844

CCCCN1CCC(Cc2cccc3c2c(C(=O)O)nn3C)CC1

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.45
HTR7 P34969 4/20 0.42
RAB9A P51151 1/20 0.42
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
PMP22 Q01453 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41

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
Hydrochloric Acid SCHEMBL9540264 0.78 KCNH2 (0.43) KCNH2HTR7RAB9AKDM4EALDH1A1
SCHEMBL7360842 0.75 KCNH2 (0.41) KCNH2HTR7RAB9AKDM4EALDH1A1
SCHEMBL9340442 0.75 KDM4E (0.45) KCNH2RAB9AKDM4EALDH1A1PMP22
SCHEMBL7357788 0.74 HTR7 (0.55) KCNH2HTR7RAB9A
SCHEMBL6946846 0.73 HTR4 (0.52)
SCHEMBL7346874 0.72 KCNH2 (0.46) KCNH2ALDH1A1
Hydrochloric Acid SCHEMBL9344904 0.72 KDM4E (0.43) KCNH2KDM4EALDH1A1PMP22NPSR1
SCHEMBL9344322 0.72 KCNH2 (0.48) KCNH2HTR7KDM4E
SCHEMBL9341470 0.71 HTR4 (0.50) KCNH2HTR7KDM4EALDH1A1PMP22
SCHEMBL7346867 0.71 SLC6A2 (0.46) KCNH2RAB9AKDM4EALDH1A1PMP22

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 5 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
WO-1993003725-A1 5-HT4 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1993-03-04 WO disclosed