SCHEMBL6971462

SCHEMBL6971462

[CH2]CN(CCCC)C1CCCC1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADH1A P07327 4/20 0.38
ADH1C P00326 3/20 0.38
CYP1A2 P05177 1/20 0.35
DRD3 P35462 3/20 0.34
DRD2 P14416 2/20 0.34
HTR1A P08908 1/20 0.34
KMT2A Q03164 1/20 0.34
SLC6A2 P23975 2/20 0.33
SLC6A4 P31645 2/20 0.33
ADH4 P08319 1/20 0.32
DRD4 P21917 1/20 0.32
NOS2 P35228 1/20 0.31
GBA1 P04062 1/20 0.31

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
SCHEMBL6963724 0.98 ADH1A (0.40) ADH1AADH1CCYP1A2DRD3DRD2
SCHEMBL6968171 0.91 ADH1C (0.38) ADH1AADH1CDRD3DRD2HTR1A
SCHEMBL735909 0.87 ADH1A (0.45) ADH1AADH1CDRD3DRD2HTR1A
SCHEMBL517191 0.87 ADH1A (0.43) ADH1AADH1CCYP1A2DRD3DRD2
SCHEMBL6970478 0.86 ADH1A (0.37) ADH1AADH1CCYP1A2DRD3DRD2
SCHEMBL6963963 0.86 ADH1A (0.37) ADH1AADH1CCYP1A2DRD3DRD2
SCHEMBL735136 0.85 ADH1A (0.47) ADH1AADH1CDRD3DRD2HTR1A
SCHEMBL737411 0.85 DRD3 (0.43) ADH1AADH1CDRD3DRD2HTR1A
SCHEMBL627799 0.85 ADH1A (0.45) ADH1AADH1CCYP1A2DRD3DRD2
SCHEMBL6965876 0.84 ADH1A (0.39) ADH1AADH1CCYP1A2DRD3DRD2

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