SCHEMBL6971831

SCHEMBL6971831

Clc1ccc2c(c1)Nc1ccccc1OCO2

nearest known ligand 0.72

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BCHE P06276 2/20 0.49
ACHE P22303 2/20 0.49
NOX1 Q9Y5S8 1/20 0.49
ALOX5 P09917 4/20 0.44
ABCG2 Q9UNQ0 1/20 0.43
CHEK1 O14757 3/20 0.41
MAP2K4 P45985 1/20 0.41
DRD2 P14416 1/20 0.40
DRD1 P21728 1/20 0.40
MAPT P10636 2/20 0.39
THRB P10828 1/20 0.39
MAOB P27338 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
SCHEMBL11432359 0.91 MAP2K4 (0.46) BCHEACHENOX1CHEK1MAP2K4
SCHEMBL6045366 0.84 ALOX5 (0.65) BCHEACHENOX1ALOX5CHEK1
SCHEMBL6959135 0.83 ABCG2 (0.62) BCHEACHENOX1ALOX5ABCG2
SCHEMBL4809585 0.81 BCHE (0.44) BCHEACHENOX1CHEK1MAPT
SCHEMBL4811917 0.80 CMA1 (0.44) BCHEACHENOX1ALOX5CHEK1
SCHEMBL29485911 0.80 CMA1 (0.44) BCHEACHENOX1ALOX5CHEK1
SCHEMBL4807696 0.77 AHR (0.44) BCHEACHENOX1ALOX5CHEK1
SCHEMBL14279318 0.73 ALDH1A1 (0.38) BCHEACHENOX1ALOX5CHEK1
SCHEMBL8725779 0.73 ALOX5 (0.65) BCHEACHENOX1ALOX5CHEK1
SCHEMBL8490860 0.71 MMP12 (0.41) CHEK1MAPTTHRB

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 13 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
EP-0851865-B1 12H-Dibenzo[d,g][1,3]dioxocine derivatives NOVO NORDISK AS (DK) 2002-07-17 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
US-5972925-A 1-(3-(2-CHLORO-12H-DIBENZO(D,G)(1,3,6)DIOXAZOCIN-12-YL)-1-PROP YL)-3-PIPERIDINECARBOXYLIC ACID, FOR EXAMPLE; TREATING NEUROGENIC PAIN (IN WHICH C-FIBERS PLAY A ROLE) OR INFLAMMATION SUCH AS MIGRAINE OR DIABETIC NEUROPATHY NOVO NORDISK A/S (DK) 1999-10-26 US disclosed
EP-0934312-A1 1,4-DISUBSTITUTED PIPERAZINES NOVO NORDISK A/S (DK) 1999-08-11 EP disclosed
EP-0851865-A1 NOVEL HETEROCYCLIC COMPOUNDS NOVO NORDISK A/S (DK) 1998-07-08 EP disclosed
WO-1998015548-A1 1,4-DISUBSTITUTED PIPERAZINES NOVO NORDISK A/S (DK) 1998-04-16 WO disclosed
WO-1997011071-A1 NOVEL HETEROCYCLIC COMPOUNDS NOVO NORDISK A/S (DK) 1997-03-27 WO disclosed
US-4965259-A CENTRAL NERVOUS SYSTEM ACTIVITY EGIS GYOGYSZERGYAR (HU) 1990-10-23 US disclosed
US-4229350-A LOCAL ANESTHETICS, TREATMENT OF PARKINSON SYNDROME EGYT GYOGYSZERVEGYESZETI GYAR (HU) 1980-10-21 US disclosed
US-4208410-A LOCAL ANESTHETICS, ANTIPARKINSON AGENTS EGYT GYOGYSZERVEGYESZETI GYAR (HU) 1980-06-17 US disclosed