SCHEMBL6963908

SCHEMBL6963908

ClCCCN1c2ccccc2CCc2ccc(Cl)cc21

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 5/20 0.71
SLC6A2 P23975 5/20 0.71
SLC6A4 P31645 5/20 0.71
CYP3A4 P08684 4/20 0.71
CHRM1 P11229 4/20 0.71
DRD2 P14416 4/20 0.71
ADRA2B P18089 4/20 0.71
ADRA2C P18825 4/20 0.71
CHRM3 P20309 4/20 0.71
HTR2C P28335 4/20 0.71
ADRA1A P35348 4/20 0.71
HRH1 P35367 4/20 0.71
DRD3 P35462 4/20 0.71
OPRK1 P41145 4/20 0.71
SLC6A3 Q01959 4/20 0.71
KCNH2 Q12809 4/20 0.71
MEN1 O00255 3/20 0.71
KMT2A Q03164 3/20 0.71
SLC22A1 O15245 3/20 0.71
CHRM2 P08172 3/20 0.71

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
SCHEMBL31256054 1.00 HTR2A (0.71) HTR2ASLC6A2SLC6A4CYP3A4CHRM1
SCHEMBL31256048 0.94 HTR2A (0.68) HTR2ASLC6A2SLC6A4CYP3A4CHRM1
SCHEMBL6958899 0.92 HTR2A (0.59) HTR2ASLC6A2SLC6A4CYP3A4CHRM1
SCHEMBL3749292 0.87 HTR2A (0.68) HTR2ASLC6A2SLC6A4CYP3A4CHRM1
SCHEMBL14707047 0.87 HTR2A (0.74) HTR2ASLC6A2SLC6A4CYP3A4CHRM1
SCHEMBL8195707 0.87 HTR2A (0.70) HTR2ASLC6A2SLC6A4CYP3A4CHRM1
SCHEMBL29485936 0.87 HTR2A (0.74) HTR2ASLC6A2SLC6A4CYP3A4CHRM1
SCHEMBL22748895 0.86 HTR2A (0.68) HTR2ASLC6A2SLC6A4CYP3A4CHRM1
SCHEMBL29485897 0.86 HTR2A (0.68) HTR2ASLC6A2SLC6A4CYP3A4CHRM1
Hydrochloric Acid SCHEMBL14698744 0.86 HTR2A (0.72) HTR2ASLC6A2SLC6A4CYP3A4CHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6613791-B1 Treating migraine, neurogenic inflammation, rheumatoid arthritis or insulin resistance NOVO NORDISK A/S (DK) 2003-09-02 US disclosed
EP-0934312-B1 1,4-DISUBSTITUTED PIPERAZINES NOVO NORDISK AS (DK) 2003-03-19 EP disclosed
EP-0820451-B1 NOVEL HETEROCYCLIC COMPOUNDS NOVO NORDISK AS (DK) 2003-01-15 EP disclosed
EP-0820443-B1 HETEROCYCLIC COMPOUNDS FOR TREATING DIABETES NOVO NORDISK AS (DK) 2001-09-19 EP disclosed
US-6239148-B1 TREATMENT OF PAINFUL, HYPERALGESIC AND/OR INFLAMMATORY CONDITIONS IN WHICH C-FIBERS PLAY A ROLE BY ELICITING NEUROGENIC PAIN, INSULIN RESISTANCE IN DIABETES MELLITUS OR AGING, INHIBIT INSULIN ANTAGONIZING PEPTIDE, NOVO NORDISK A/S (DK) 2001-05-29 US disclosed
US-6166009-A N-substituted azaheterocyclic carboxylic acids and esters thereof NOVO NORDISK A/S (DK) 2000-12-26 US disclosed
US-6133268-A 1,4-disubstituted piperazines NOVO NORDISK A/S (DK) 2000-10-17 US disclosed
US-6110913-A ANTIINFLAMMATORY AGENTS, ANALGESICS NOVO NORDISK A/S (DK) 2000-08-29 US disclosed
US-6071901-A TREATING PAIN, HYPERALGESIA AND/OR INFLAMMATORY CONDITIONS IN WHICH C-FIBERS PLAY A PATHOPHYSIOLOGICAL ROLE; INHIBITION OF NEUROGENIC INFLAMMATION INVOLVING THE RELEASE OF NEURO-PEPTIDE FROM PERIPHERAL AND CENTRAL ENDINGS OF SENSORY NERVES NOVO NORDISK A/S (DK) 2000-06-06 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
EP-0820443-A1 NOVEL HETEROCYCLIC COMPOUNDS NOVO NORDISK A/S (DK) 1998-01-28 EP disclosed
EP-0820451-A1 NOVEL HETEROCYCLIC COMPOUNDS NOVO NORDISK A/S (DK) 1998-01-28 EP disclosed
WO-1996031481-A1 NOVEL HETEROCYCLIC COMPOUNDS NOVO NORDISK A/S (DK) 1996-10-10 WO disclosed
WO-1996031498-A1 NOVEL HETEROCYCLIC COMPOUNDS NOVO NORDISK A/S (DK) 1996-10-10 WO disclosed