SCHEMBL6957294

SCHEMBL6957294

CCOC(=O)c1cccnc1N1CCN(CCCN2c3ccccc3OCOc3ccccc32)CC1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 1/20 0.44
DRD2 P14416 4/20 0.44
HTR2A P28223 4/20 0.44
MCHR1 Q99705 3/20 0.44
HTR1A P08908 2/20 0.43
PPARG P37231 1/20 0.42
PPARA Q07869 1/20 0.42
HTR7 P34969 1/20 0.41
CHIA Q9BZP6 1/20 0.40
ADRA1D P25100 1/20 0.40
ADRA1A P35348 1/20 0.40
ADRA1B P35368 1/20 0.40
HSD11B1 P28845 1/20 0.40

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
SCHEMBL6969702 0.87 DRD2 (0.46) DRD2HTR2AMCHR1HTR1AHTR7
Hydrochloric Acid SCHEMBL6969809 0.86 DRD2 (0.46) DRD2HTR2AMCHR1
SCHEMBL7166882 0.84 GRIN1 (0.52) OPRK1DRD2HTR1A
SCHEMBL6966481 0.84 KDM4E (0.42) DRD2HTR2AMCHR1HTR1AHTR7
SCHEMBL6964674 0.81 DRD2 (0.48) DRD2HTR2AMCHR1HTR1AHTR7
SCHEMBL6972127 0.81 OPRK1 (0.43) OPRK1HTR1APPARGCHIAADRA1D
SCHEMBL6964123 0.81 HTR1A (0.51) OPRK1DRD2HTR1ACHIAHSD11B1
SCHEMBL6965947 0.80 HRH1 (0.43) OPRK1DRD2HTR2AMCHR1HTR1A
SCHEMBL6966637 0.80 DRD2 (0.49) OPRK1DRD2HTR2AHTR1AADRA1D
Hydrochloric Acid SCHEMBL6971834 0.79 HRH1 (0.42) OPRK1DRD2HTR2AMCHR1HTR1A

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