SCHEMBL8296193

SCHEMBL8296193

O=C1/C(=C\c2ccncc2)c2ccccc2N1c1ccccc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.71
APP P05067 6/20 0.71
SNCA P37840 6/20 0.71
HCRTR1 O43613 1/20 0.62
ALDH1A1 P00352 3/20 0.51
GAA P10253 2/20 0.51
CES2 O00748 1/20 0.51
BCHE P06276 1/20 0.51
CES1 P23141 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
CYP19A1 P11511 4/20 0.50
CYP11B2 P19099 1/20 0.50
ITGA4 P13612 3/20 0.48
ITGB7 P26010 3/20 0.48
ERBB2 P04626 1/20 0.45
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
PKM P14618 1/20 0.41
HTT P42858 1/20 0.41

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
SCHEMBL8296195 1.00 MAPT (0.71) MAPTAPPSNCAHCRTR1ALDH1A1
SCHEMBL7678890 0.94 APP (0.75) MAPTAPPSNCAHCRTR1ALDH1A1
SCHEMBL7678889 0.94 APP (0.75) MAPTAPPSNCAHCRTR1ALDH1A1
SCHEMBL7671182 0.85 MAPT (0.58) MAPTAPPSNCAHCRTR1ALDH1A1
SCHEMBL7671185 0.85 MAPT (0.58) MAPTAPPSNCAHCRTR1ALDH1A1
SCHEMBL7676181 0.82 APP (0.57) MAPTAPPSNCAHCRTR1ALDH1A1
SCHEMBL29158518 0.80 MAPT (0.66) MAPTAPPSNCAHCRTR1ALDH1A1
SCHEMBL7676746 0.78 APP (0.53) MAPTAPPSNCAHCRTR1ALDH1A1
SCHEMBL7672585 0.77 APP (0.52) MAPTAPPSNCAHCRTR1ALDH1A1
SCHEMBL7672581 0.77 APP (0.52) MAPTAPPSNCAHCRTR1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0532054-B1 Process for preparing alpha,alpha-disubstituted aromatics and heteroaromatics as cognition enhancers DU PONT PHARM CO (US) 1999-06-09 EP disclosed
EP-0623127-B1 NOVEL NEUROTRANSMITTER RELEASERS USEFUL FOR COGNITION ENHANCEMENT DU PONT MERCK PHARMA (US) 1997-04-02 EP disclosed
US-5532247-A ACENAPHTHENES SUBSTITUTED IN THE 1-POSITION BY PYRIDYLMETHYL OR FLUOROPYRIDYLMETHYL; TREATING COGNITIVE OR NEUROLOGICAL DYSFUNCTION THEREWITH THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) 1996-07-02 US disclosed
US-5434264-A α,α-disubstituted aromatics and heteroaromatics as cognition enhancers THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1995-07-18 US disclosed
US-5414004-A Cognitive activators and nervous system disorders THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1995-05-09 US disclosed
US-5300642-A α, α-disubstituted aromatics and heteroaromatics as cognition enhancers THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1994-04-05 US disclosed
EP-0532054-A1 Process for preparing alpha,alpha-disubstituted aromatics and heteroaromatics as cognition enhancers THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1993-03-17 EP disclosed
US-5173489-A α,α-disubstituted aromatics and heteroaromatics as cognition enhancers THE DUPONT MERCK PHARMACEUTICAL CO. (US) 1992-12-22 US disclosed
EP-0311010-A2 Alpha,Alpha-disubstituted aromatics and heteroaromatics as cognition enhancers THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1989-04-12 EP disclosed
EP-0311029-A2 Process for preparing 3,3-disubstituted indolines THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1989-04-12 EP disclosed
US-4806651-A Process for preparing 3,3-disubstituted indolines E. I. DU PONT DE NEMOURS AND COMPANY (US) 1989-02-21 US disclosed