SCHEMBL6963659

SCHEMBL6963659

CCOC(=O)c1cccnc1N1CCN(CCC=C2c3ccccc3CCc3ccccc32)CC1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 7/20 0.45
OPRK1 P41145 1/20 0.44
CHIA Q9BZP6 1/20 0.43
DRD3 P35462 2/20 0.41
HRH3 Q9Y5N1 2/20 0.41
DRD2 P14416 1/20 0.41
DRD1 P21728 1/20 0.41
ALDH1A1 P00352 1/20 0.41
PKM P14618 1/20 0.41
HSD11B1 P28845 1/20 0.40
DRD4 P21917 1/20 0.40
HTT P42858 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
SCHEMBL6960271 0.89 ALDH1A1 (0.42) HRH1OPRK1CHIADRD3HRH3
SCHEMBL6972127 0.87 OPRK1 (0.43) HRH1OPRK1CHIAHSD11B1DRD4
SCHEMBL6963499 0.87 HRH1 (0.49) HRH1CHIADRD3HRH3DRD1
Hydrochloric Acid SCHEMBL6970215 0.86 HRH1 (0.49) HRH1CHIADRD3HRH3DRD1
SCHEMBL6964123 0.81 HTR1A (0.51) OPRK1CHIADRD3DRD2ALDH1A1
SCHEMBL6973725 0.80 HRH1 (0.47) HRH1DRD3HRH3DRD2DRD1
SCHEMBL6971968 0.80 MAPT (0.42) HRH1OPRK1DRD3DRD2ALDH1A1
SCHEMBL7166882 0.80 GRIN1 (0.52) OPRK1DRD3DRD2ALDH1A1PKM
SCHEMBL6962085 0.79 HRH1 (0.46) HRH1DRD3HRH3DRD2DRD1
SCHEMBL7166884 0.78 OPRK1 (0.46) OPRK1CHIADRD3DRD2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0934312-B1 1,4-DISUBSTITUTED PIPERAZINES NOVO NORDISK AS (DK) 2003-03-19 EP disclosed
US-6133268-A 1,4-disubstituted piperazines NOVO NORDISK A/S (DK) 2000-10-17 US disclosed
US-6040302-A ANTIINFLAMMATORY AGENTS TREATING RHEUMATOID ARTHRITIS, MIGRAINE OR ITCHING, INSULIN RESISTANCE IN NON-INSULIN-DEPENDENT DIABETES MELLITUS AND AGEING-ASSOCIATED OBESITY NOVO NORDISK A/S (DK) 2000-03-21 US disclosed
US-6004961-A ANTIINFLAMMATORY AGENTS, ANALGESICS; NON-INSULIN-DEPENDENT DIABETES; AGE-RELATED OBESITY; DIBENZO(D,G)(1,3,6)DIOXAZOCINE DERIVATIVES NOVO NORDISK A/S (DK) 1999-12-21 US disclosed
EP-0934312-A1 1,4-DISUBSTITUTED PIPERAZINES NOVO NORDISK A/S (DK) 1999-08-11 EP disclosed
WO-1998015548-A1 1,4-DISUBSTITUTED PIPERAZINES NOVO NORDISK A/S (DK) 1998-04-16 WO disclosed