SCHEMBL7619957

SCHEMBL7619957

c1cncc(-c2nsnc2SCCCc2cccs2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 5/20 0.40
CYP2C9 P11712 3/20 0.40
CYP2E1 P05181 1/20 0.40
CYP2A6 P11509 1/20 0.40
CYP2B6 P20813 1/20 0.40
CHRM2 P08172 2/20 0.40
CHRM4 P08173 2/20 0.40
CHRM5 P08912 2/20 0.40
CHRM1 P11229 2/20 0.40
CHRM3 P20309 2/20 0.40
HSD17B10 Q99714 5/20 0.38
ALDH1A1 P00352 5/20 0.38
CYP1A2 P05177 4/20 0.38
CYP2D6 P10635 4/20 0.38
CLK4 Q9HAZ1 4/20 0.38
ALOX15 P16050 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
CYP2C19 P33261 2/20 0.38
MAPK1 P28482 1/20 0.38

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
SCHEMBL8995520 0.81 CHRM2 (0.38) CYP3A4CYP2C9CYP2E1CYP2A6CYP2B6
SCHEMBL7611851 0.80 CHRM2 (0.47) CYP3A4CYP2C9CYP2A6CHRM2CHRM4
SCHEMBL7612078 0.79 CHRM1 (0.46) CYP3A4CYP2C9CHRM2CHRM4CHRM5
SCHEMBL7614598 0.79 CHRM1 (0.46) CYP3A4CYP2A6CHRM2CHRM4CHRM5
SCHEMBL7618429 0.78 CHRM1 (0.46) CYP3A4CYP2C9CHRM2CHRM4CHRM5
SCHEMBL7617688 0.78 CHRM1 (0.46) CYP3A4CYP2C9CHRM2CHRM4CHRM5
SCHEMBL27544587 0.78 CHRM2 (0.60) CYP3A4CYP2C9CYP2E1CYP2A6CYP2B6
SCHEMBL7614458 0.77 CHRM2 (0.46) CYP3A4CYP2C9CYP2E1CYP2A6CYP2B6
SCHEMBL7465627 0.75 CHRM1 (0.41) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL7613104 0.74 CHRM2 (0.48) CYP3A4CYP2C9CYP2E1CYP2A6CYP2B6

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-0734259-B1 Use of piperidine compounds in the treatment of schizophrenia NOVO NORDISK AS (DK) 2002-06-12 EP disclosed
US-RE36375-E Treatment of Alzheimer's disease using azacyclic compounds NOVO NORDISK A/S (DK) 1999-11-02 US disclosed
US-5919805-A 3-OXY- OR THIO-DERIVATIVES OF 1,2,5-OXADIAZOLES OR 1,2,5-THIADIAZOLES; TREATMENT OF ALZHEIMER'S DISEASE, SEVERE PAINFUL CONDITIONS AND GLAUCOMA. NOVO NORDISK A/S (DK) 1999-07-06 US disclosed
US-5773452-A ALZHEIMER'S DISEASE; COGNITION ACTIVATORS NOVO NORDISK ALS (DK) 1998-06-30 US disclosed
US-RE35822-E COGNITION ACTIVATORS NOVO NORDISK A/S (DK) 1998-06-09 US disclosed
US-5753683-A SCHIZOPHRENIA NOVO NORDISK A/S (DK) 1998-05-19 US disclosed
US-5750541-A 3-(1,2,5-THIA OR OXADIAZOL-3-YL)-1,2,5,6-PYRIDINE DERIVATIVES; SCHIZOPHRENIFORM DISEASES; SIDE EFFECT REDUCTION NOVO NORDISK A/S (DK) 1998-05-12 US disclosed
US-5744489-A ADMINISTERING CERTAIN 1,2,5-THIADIAZOLE AND 1,2,5-OXADIAZOLE COMPOUNDS GREENWOOD BEVERLEY (US) 1998-04-28 US disclosed
US-5658932-A AZACYCLIC COMPOUNDS; COGNITIVE FUNCTION STIMULANTS; ALZHEIMER'S DISEASE NOVO NORDISK A/S (DK) 1997-08-19 US disclosed
US-5571826-A 1,2,5-THIADIAZOLE OR 1,2,5-OXADIAZOLE AS ANALGESICS NOVO NORDISK A/S (DK) 1996-11-05 US disclosed
US-5559136-A Treatment of Alzheimer's disease using azacyclic compounds NOVO NORDISK A/S (DK) 1996-09-24 US disclosed
US-5545638-A USING A 3-(TETRAHYDROPYRID-3-YL-) SUBSTITUTED (OXA- OR THIA-)DIAZOLE COMPOUND NOVO NORDISK A/S (DK) 1996-08-13 US disclosed
US-5376668-A Cholinergic agents as cognition activators in treatment of Alzheimer*s disease NOVO NORDISK A/S (DK) 1994-12-27 US disclosed