SCHEMBL7204857

SCHEMBL7204857

CN1CCN(CCCO/N=C(\Cl)c2cccnc2)CC1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HRH2 P25021 2/20 0.46
HRH1 P35367 2/20 0.46
HRH3 Q9Y5N1 6/20 0.43
DRD4 P21917 2/20 0.42
DRD2 P14416 1/20 0.42
GAA P10253 1/20 0.41
TBXAS1 P24557 2/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
ALOX15 P16050 1/20 0.41
HTR1A P08908 1/20 0.40
HTR2A P28223 1/20 0.40
DRD3 P35462 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL7204858 1.00 HRH2 (0.46) HRH2HRH1HRH3DRD4DRD2
Hydrochloric Acid SCHEMBL7205382 0.99 HRH2 (0.45) HRH2HRH1HRH3DRD4DRD2
Hydrochloric Acid SCHEMBL7205377 0.99 HRH2 (0.45) HRH2HRH1HRH3DRD4DRD2
SCHEMBL3065793 0.89 CHRNB2 (0.46) HRH2HRH1HRH3DRD4DRD2
SCHEMBL7203603 0.89 CHRNB2 (0.46) HRH2HRH1HRH3DRD4DRD2
Hydrochloric Acid SCHEMBL7204189 0.88 CHRNB2 (0.45) HRH2HRH1HRH3DRD4DRD2
Hydrochloric Acid SCHEMBL7204191 0.88 CHRNB2 (0.45) HRH2HRH1HRH3DRD4DRD2
Hydrochloric Acid SCHEMBL5698917 0.88 CHRNB2 (0.45) HRH2HRH1HRH3DRD4DRD2
Hydrochloric Acid SCHEMBL3075989 0.88 CHRNB2 (0.45) HRH2HRH1HRH3DRD4DRD2
Hydrochloric Acid SCHEMBL8483494 0.86 GAA (0.56) HRH2HRH1GAAKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2003045387-A1 PHARMACEUTICAL COMPOSITION WITH COMBINED ACTIVE AGENTS CONTAINING METFORMIN AND A HYDROXYLAMINE DERIVATIVE BIOREX KUTATÓ ÉS FEJLESZTÖ RT. (HU) 2003-06-05 WO claimed
WO-2003045387-A1 PHARMACEUTICAL COMPOSITION WITH COMBINED ACTIVE AGENTS CONTAINING METFORMIN AND A HYDROXYLAMINE DERIVATIVE BIOREX KUTATÓ ÉS FEJLESZTÖ RT. (HU) 2003-06-05 WO disclosed