SCHEMBL6960271

SCHEMBL6960271

CCOC(=O)c1cccnc1N1CCN(CCC=C2c3ccccc3CSc3ccccc32)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.42
OPRK1 P41145 3/20 0.42
HRH1 P35367 3/20 0.42
ADRA2A P08913 2/20 0.42
CYP2D6 P10635 2/20 0.42
DRD2 P14416 2/20 0.42
ADRA2B P18089 2/20 0.42
ADRA2C P18825 2/20 0.42
HTR2A P28223 2/20 0.42
HTR2C P28335 2/20 0.42
ADRA1A P35348 2/20 0.42
DRD3 P35462 2/20 0.42
HTR2B P41595 2/20 0.42
SLC6A3 Q01959 2/20 0.42
KCNH2 Q12809 2/20 0.42
CHRM2 P08172 1/20 0.42
CHRM1 P11229 1/20 0.42
CHRM3 P20309 1/20 0.42
SLC6A2 P23975 1/20 0.42
SLC6A4 P31645 1/20 0.42

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
SCHEMBL6963659 0.89 HRH1 (0.45) ALDH1A1OPRK1HRH1DRD2DRD3
SCHEMBL6971617 0.88 HRH1 (0.44) ALDH1A1OPRK1HRH1ADRA2ACYP2D6
Hydrochloric Acid SCHEMBL6972798 0.88 LMNA (0.45) ALDH1A1OPRK1HRH1ADRA2ACYP2D6
SCHEMBL6960765 0.83 HRH1 (0.42) ALDH1A1OPRK1HRH1ADRA2ACYP2D6
SCHEMBL6972127 0.82 OPRK1 (0.43) OPRK1HRH1ADRA2AADRA2BADRA2C
SCHEMBL6964808 0.80 LMNA (0.42) ALDH1A1OPRK1HRH1ADRA2ACYP2D6
SCHEMBL6964805 0.80 LMNA (0.42) ALDH1A1OPRK1HRH1ADRA2ACYP2D6
SCHEMBL6955699 0.77 SIGMAR1 (0.50) ALDH1A1OPRK1HRH1ADRA2ACYP2D6
SCHEMBL6963499 0.76 HRH1 (0.49) HRH1ADRA1ADRD3HRH3CHIA
Oxalic Acid SCHEMBL6973649 0.76 LMNA (0.38) ALDH1A1OPRK1HRH1ADRA2ACYP2D6

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