SCHEMBL6972127

SCHEMBL6972127

CCOC(=O)c1cccnc1N1CCN(CCC=C2c3ccccc3OCOc3ccccc32)CC1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 1/20 0.43
CHIA Q9BZP6 1/20 0.39
HRH1 P35367 4/20 0.39
HSD11B1 P28845 1/20 0.39
TP53 P04637 1/20 0.38
POLB P06746 1/20 0.38
DRD4 P21917 1/20 0.38
PPARG P37231 1/20 0.38
ADRA1D P25100 1/20 0.38
ADRA1A P35348 1/20 0.38
ADRA1B P35368 1/20 0.38
LMNA P02545 1/20 0.38
TSHR P16473 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ADRA2A P08913 1/20 0.37
ADRA2B P18089 1/20 0.37
ADRA2C P18825 1/20 0.37
HTR1A P08908 1/20 0.37

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
SCHEMBL6971968 0.89 MAPT (0.42) OPRK1HRH1HSD11B1TP53POLB
SCHEMBL6960366 0.87 HRH1 (0.44) CHIAHRH1ADRA1DADRA1AADRA1B
SCHEMBL6963659 0.87 HRH1 (0.45) OPRK1CHIAHRH1HSD11B1DRD4
Hydrochloric Acid SCHEMBL6960538 0.87 HRH1 (0.43) CHIAHRH1ADRA1DADRA1AADRA1B
SCHEMBL6960271 0.82 ALDH1A1 (0.42) OPRK1CHIAHRH1HSD11B1TP53
SCHEMBL6964899 0.81 HRH1 (0.40) HRH1PPARGADRA1DADRA1AADRA1B
SCHEMBL6957294 0.81 OPRK1 (0.44) OPRK1CHIAHSD11B1PPARGADRA1D
SCHEMBL6971128 0.77 CCR1 (0.44) OPRK1HRH1POLBDRD4ADRA1D
Hydrochloric Acid SCHEMBL6969045 0.76 CCR1 (0.43) OPRK1HRH1DRD4ADRA1DADRA1A
SCHEMBL7463247 0.75 ALDH1A1 (0.51) POLBLMNATSHR

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