SCHEMBL6965971

SCHEMBL6965971

Cc1ccc2c(c1)N(CCCO)c1cc(C)ccc1CC2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 9/20 0.42
HTR2A P28223 4/20 0.42
CYP3A4 P08684 4/20 0.42
SLC6A2 P23975 4/20 0.42
KMT2A Q03164 4/20 0.42
SLC22A1 O15245 3/20 0.42
CHRM2 P08172 3/20 0.42
CYP2D6 P10635 3/20 0.42
CHRM1 P11229 3/20 0.42
DRD2 P14416 3/20 0.42
ADRA2B P18089 3/20 0.42
ADRA2C P18825 3/20 0.42
CHRM3 P20309 3/20 0.42
HTR2C P28335 3/20 0.42
ADRA1A P35348 3/20 0.42
HRH1 P35367 3/20 0.42
DRD3 P35462 3/20 0.42
OPRK1 P41145 3/20 0.42
HTR2B P41595 3/20 0.42
MTOR P42345 3/20 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
SCHEMBL6963720 0.93 HTR2A (0.53) SLC6A4HTR2ACYP3A4SLC6A2KMT2A
SCHEMBL10130299 0.80 GRIN1 (0.46) KMT2ACHRM2CHRM1DRD2CHRM3
SCHEMBL6961973 0.75 HTR2A (0.68) SLC6A4HTR2ACYP3A4SLC6A2KMT2A
SCHEMBL8985947 0.75 SLC6A4 (0.78) SLC6A4HTR2ACYP3A4SLC6A2KMT2A
SCHEMBL8195707 0.74 HTR2A (0.70) SLC6A4HTR2ACYP3A4SLC6A2KMT2A
SCHEMBL4097569 0.74 GRIN1 (0.49) CHRM2CHRM1DRD2CHRM3DRD3
SCHEMBL8196610 0.74 SMPD1 (0.55) SLC6A4HTR2ACYP3A4SLC6A2KMT2A
SCHEMBL6967959 0.74 SLC6A4 (0.56) SLC6A4HTR2ACYP3A4SLC6A2KMT2A
SCHEMBL21953430 0.73 ALDH1A1 (0.44) HTR2ACYP3A4KMT2ACHRM2CYP2D6
SCHEMBL5499486 0.73 DRD2 (0.49) CHRM2CHRM1DRD2CHRM3HRH1

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 8 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-0820451-B1 NOVEL HETEROCYCLIC COMPOUNDS NOVO NORDISK AS (DK) 2003-01-15 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-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
EP-0820451-A1 NOVEL HETEROCYCLIC COMPOUNDS NOVO NORDISK A/S (DK) 1998-01-28 EP disclosed
WO-1996031498-A1 NOVEL HETEROCYCLIC COMPOUNDS NOVO NORDISK A/S (DK) 1996-10-10 WO disclosed