SCHEMBL7804683

SCHEMBL7804683

CCN1CCCC[C@H](N)C1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHRM5 P08912 1/20 0.37
ADRA2C P18825 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.35
HSD11B1 P28845 1/20 0.35
CYP2D6 P10635 1/20 0.34
CYP1A2 P05177 1/20 0.34
KMT2A Q03164 1/20 0.34
DRD2 P14416 1/20 0.33
DRD3 P35462 1/20 0.33
KDM4E B2RXH2 1/20 0.33
GNAI3 P08754 1/20 0.33
GNAO1 P09471 1/20 0.33
GNAI1 P63096 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
SCHEMBL4703206 1.00 CHRM5 (0.37) CHRM5ADRA2CSMN1; SMN2HSD11B1CYP2D6
SCHEMBL7810418 1.00 CHRM5 (0.37) CHRM5ADRA2CSMN1; SMN2HSD11B1CYP2D6
SCHEMBL7814375 0.98 CHRM5 (0.40) CHRM5ADRA2CSMN1; SMN2HSD11B1CYP2D6
SCHEMBL7804770 0.98 CHRM5 (0.40) CHRM5ADRA2CSMN1; SMN2HSD11B1CYP2D6
SCHEMBL2425127 0.93
SCHEMBL2425189 0.93
SCHEMBL178341 0.93
Hydrochloric Acid SCHEMBL25417087 0.91 GNAI3 (0.37) SMN1; SMN2CYP2D6CYP1A2DRD2DRD3
Hydrochloric Acid SCHEMBL2427708 0.91 GNAI3 (0.37) SMN1; SMN2CYP2D6CYP1A2DRD2DRD3
Hydrochloric Acid SCHEMBL3975828 0.91 GNAI3 (0.37) SMN1; SMN2CYP2D6CYP1A2DRD2DRD3

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-0794184-B1 6-METHOXY-1H-BENZOTRIAZOLE-5-CARBOXAMIDE DERIVATIVES, PROCESS FOR PRODUCING THE SAME, AND MEDICINAL COMPOSITION CONTAINING THE SAME DAINIPPON PHARMACEUTICAL CO (JP) 2001-05-30 EP disclosed
US-5932568-A GASTROINTESTINAL DISORDERS DAINIPPON PHARMACEUTICAL CO., LTD. (JP) 1999-08-03 US disclosed
EP-0794184-A1 6-METHOXY-1H-BENZOTRIAZOLE-5-CARBOXAMIDE DERIVATIVES, PROCESS FOR PRODUCING THE SAME, AND MEDICINAL COMPOSITION CONTAINING THE SAME DAINIPPON PHARMACEUTICAL CO., LTD. (JP) 1997-09-10 EP disclosed