SCHEMBL8874688

SCHEMBL8874688

O=C1N(N2CCOCC2)c2ccccc2C1(Cc1ccccn1)Cc1ccccn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 7/20 0.41
EGLN1 Q9GZT9 1/20 0.40
ALDH1A1 P00352 2/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
RECQL P46063 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
THPO P40225 1/20 0.37
PRKDC P78527 1/20 0.37
PIK3CD O00329 1/20 0.37
PIK3CA P42336 1/20 0.37
PIK3CB P42338 1/20 0.37
KMT2A Q03164 1/20 0.36
DDB1 Q16531 1/20 0.36
CRBN Q96SW2 1/20 0.36

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
SCHEMBL8874912 0.86 TP53 (0.42) SCN9AEGLN1ALDH1A1GAAMAPT
SCHEMBL8873829 0.83 ALDH1A1 (0.55) ALDH1A1GAAMAPTRECQLCYP1A2
SCHEMBL8874321 0.83 ALDH1A1 (0.44) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL8875521 0.82 ALDH1A1 (0.42) SCN9AEGLN1ALDH1A1MAPTL3MBTL1
SCHEMBL8874764 0.80 KCNQ2 (0.50) SCN9AALDH1A1GAAMAPTRECQL
Water SCHEMBL9391496 0.79 KCNQ2 (0.49) SCN9AALDH1A1GAAMAPTRECQL
Water SCHEMBL9391493 0.79 KCNQ2 (0.49) SCN9AALDH1A1GAAMAPTRECQL
SCHEMBL8874241 0.75 ALDH1A1 (0.48) ALDH1A1GAAMAPTCYP1A2CYP3A4
SCHEMBL8886313 0.73 CYP1A2 (0.43) ALDH1A1GAAMAPTRECQLL3MBTL1
SCHEMBL8290956 0.73 ALDH1A1 (0.67) SCN9AEGLN1ALDH1A1L3MBTL1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5597916-A 1 substituted oxindoles and azaoxindoles THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) 1997-01-28 US disclosed
US-5519132-A ALZHEIMER*S DISEASE, NERVOUS SYSTEM DISORDERS, PROMOTE RELEASE OF ACETYLCHOLINE THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1996-05-21 US disclosed
US-5428035-A Enhance the release of neurotransmitter acetylcholine and useful for treating alzheimer's disease and cognition activator THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) 1995-06-27 US disclosed
WO-1994007891-A1 1-SUBSTITUTED OXINDOLES AND AZAOXINDOLES AS NOVEL COGNITION ENHANCERS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1994-04-14 WO disclosed
US-5296478-A 1-substituted oxindoles as cognition enhancers THE DUPONT MERCK PHARMACEUTICAL CO. (US) 1994-03-22 US disclosed