SCHEMBL6967321

SCHEMBL6967321

[CH2]CCNCCCCC1CC1

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.41
SAT1 P21673 1/20 0.38
MAPT P10636 1/20 0.33
KDM5A P29375 1/20 0.30
KDM7A Q6ZMT4 1/20 0.30
KDM4C Q9H3R0 1/20 0.30
PHF8 Q9UPP1 1/20 0.30
KDM2A Q9Y2K7 1/20 0.30

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
SCHEMBL6962390 0.93 SAT1 (0.39) SIGMAR1SAT1MAPT
SCHEMBL6963964 0.91 SIGMAR1 (0.52) SIGMAR1SAT1MAPTKDM5AKDM4C
SCHEMBL6961348 0.91 SIGMAR1 (0.41) SIGMAR1SAT1MAPTKDM5AKDM7A
SCHEMBL6975542 0.84 SIGMAR1 (0.44) SIGMAR1SAT1MAPTKDM5AKDM4C
SCHEMBL6976256 0.84 SAT1 (0.39) SIGMAR1SAT1MAPT
SCHEMBL6968173 0.84 SIGMAR1 (0.42) SIGMAR1SAT1MAPTKDM5AKDM7A
SCHEMBL4476289 0.83
SCHEMBL6973979 0.83 SIGMAR1 (0.47) SIGMAR1KDM5AKDM4CPHF8KDM2A
SCHEMBL6970482 0.83 SIGMAR1 (0.52) SIGMAR1SAT1MAPTKDM5AKDM4C
SCHEMBL6965882 0.81 SIGMAR1 (0.55) SIGMAR1MAPTKDM5AKDM4CPHF8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0870765-B1 AMINOTHIAZOLE DERIVATIVES, DRUG CONTAINING THE SAME AND INTERMEDIATE IN THE PRODUCTION OF THE COMPOUNDS ZERIA PHARM CO LTD (JP) 2003-11-19 EP disclosed
US-5981557-A HAVING IMPROVING EFFECTS ON THE DYSMOTILITY IN THE GASTROINTESTINAL TRACT ZERIA PHARMACEUTICAL CO., LTD. (JP) 1999-11-09 US disclosed
EP-0870765-A1 AMINOTHIAZOLE DERIVATIVES, DRUG CONTAINING THE SAME AND INTERMEDIATE IN THE PRODUCTION OF THE COMPOUNDS ZERIA PHARMACEUTICAL CO., LTD. (JP) 1998-10-14 EP disclosed