SCHEMBL6965882

SCHEMBL6965882

[CH2]CCCNCCCCC1CCCCC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 4/20 0.55
CYP1A2 P05177 1/20 0.43
TNKS2 Q9H2K2 1/20 0.37
EPHX1 P07099 2/20 0.37
KDM5A P29375 2/20 0.35
PHF8 Q9UPP1 2/20 0.35
KDM2A Q9Y2K7 2/20 0.35
KDM4C Q9H3R0 1/20 0.35
KDM4A O75164 1/20 0.35
KDM1A O60341 1/20 0.34
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34
MAPT P10636 1/20 0.33
ADAMTS4 O75173 1/20 0.33
ADAMTS5 Q9UNA0 1/20 0.33
HDAC3 O15379 1/20 0.33
HDAC4 P56524 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC7 Q8WUI4 1/20 0.33
HDAC2 Q92769 1/20 0.33

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
SCHEMBL6970482 0.98 SIGMAR1 (0.52) SIGMAR1CYP1A2TNKS2EPHX1KDM5A
SCHEMBL4483483 0.90 SIGMAR1 (0.42) SIGMAR1CYP1A2EPHX1KDM1AMAOA
SCHEMBL6963964 0.90 SIGMAR1 (0.52) SIGMAR1CYP1A2TNKS2EPHX1KDM5A
SCHEMBL6961348 0.90 SIGMAR1 (0.41) SIGMAR1KDM5APHF8KDM2AKDM4C
SCHEMBL4469305 0.88 SIGMAR1 (0.39) SIGMAR1CYP1A2EPHX1KDM1AMAOA
SCHEMBL6963725 0.86 SIGMAR1 (0.57) SIGMAR1CYP1A2TNKS2EPHX1KDM5A
SCHEMBL6973979 0.86 SIGMAR1 (0.47) SIGMAR1CYP1A2TNKS2EPHX1KDM5A
SCHEMBL6975542 0.83 SIGMAR1 (0.44) SIGMAR1CYP1A2EPHX1KDM5APHF8
SCHEMBL6971465 0.83 SIGMAR1 (0.53) SIGMAR1CYP1A2TNKS2EPHX1KDM5A
SCHEMBL4485420 0.83 MAPT (0.42) SIGMAR1CYP1A2EPHX1MAPT

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