SCHEMBL9791007

SCHEMBL9791007

CC(C#N)N1c2ccccc2Sc2ccccc21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.48
PTGS1 P23219 3/20 0.46
PTGS2 P35354 2/20 0.46
BCHE P06276 9/20 0.45
CYP2D6 P10635 4/20 0.44
HTR1A P08908 4/20 0.44
DRD3 P35462 4/20 0.44
CHRM2 P08172 3/20 0.44
ADRA2A P08913 3/20 0.44
CHRM1 P11229 3/20 0.44
DRD1 P21728 3/20 0.44
SLC6A2 P23975 3/20 0.44
SLC6A4 P31645 3/20 0.44
ADRA1A P35348 3/20 0.44
OPRM1 P35372 3/20 0.44
KCNH2 Q12809 3/20 0.44
ALOX15 P16050 3/20 0.44
HSD17B10 Q99714 3/20 0.44
ALDH1A1 P00352 3/20 0.44
LMNA P02545 2/20 0.44

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
SCHEMBL4303056 0.87 SNCA (0.44) BCHECYP2D6HTR1ADRD3CHRM2
SCHEMBL627482 0.78 MAOA (0.58) MAOAPTGS1PTGS2BCHECYP2D6
SCHEMBL30184394 0.78 MAOA (0.58) MAOAPTGS1PTGS2BCHECYP2D6
SCHEMBL24806907 0.75 MAOA (0.54) MAOAPTGS1PTGS2BCHECYP2D6
SCHEMBL8142099 0.75 PTGS1 (0.59) MAOAPTGS1PTGS2BCHECYP2D6
SCHEMBL2921643 0.75 MAOA (0.54) MAOAPTGS1PTGS2BCHECYP2D6
SCHEMBL12386881 0.72 PTGS1 (0.51) MAOAPTGS1PTGS2BCHECYP2D6
SCHEMBL29833662 0.72 BCHE (0.54) MAOAPTGS1PTGS2BCHECYP2D6
SCHEMBL23374142 0.72 MAOA (0.50) MAOAPTGS1PTGS2BCHECYP2D6
SCHEMBL3696465 0.72 BCHE (0.54) MAOAPTGS1PTGS2BCHECYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012110833-A2 FLUORESCENCE MODULATORS ALMAC SCIENCES (SCOTLAND) LIMITED (GB) 2012-08-23 WO disclosed
US-5055213-A Addition copolymers containing maleic anhydride monomer modifi ed by a phenothiazine derivative, napthtylamine or diphenylami ne; antideposit agents; dispersants; oxidation resistance SOCIETE NATIONALE ELF AQUITAINE (FR) 1991-10-08 US disclosed
US-4225617-A PSYCHOTROPIC AGENTS LABORATOIRE L. LAFON (FR) 1980-09-30 US disclosed
US-4209524-A CENTRAL NERVOUS SYSTEM LABORATOIRE L. LAFON (FR) 1980-06-24 US disclosed
US-4209523-A TREATMENT OF THE CENTRAL NERVOUS SYSTEM LABORATOIRE L. LAFON (FR) 1980-06-24 US disclosed
US-4183951-A PSYCHOTROPIC AGENTS LABORATOIRE L. LAFON (FR) 1980-01-15 US disclosed
US-4152458-A CENTRAL NERVOUS SYSTEM, PSYCHOTROPIC AGENTS LABORATOIRE L. LAFON (FR) 1979-05-01 US disclosed
US-4151300-A CENTRAL NERVOUS SYSTEM, PSYCHOTROPIC LABORATOIRE L. LAFON (FR) 1979-04-24 US disclosed
US-4122186-A PSYCHOTROPIC AGENTS LABORATOIRE L. LAFON (FR) 1978-10-24 US disclosed