SCHEMBL8875173

SCHEMBL8875173

CC(=O)OC1(Cc2ccncc2)C(=O)N(N2CCOCC2)c2ccccc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.42
MAPT P10636 1/20 0.42
PKM P14618 1/20 0.42
CYP1A2 P05177 2/20 0.39
CYP3A4 P08684 2/20 0.39
CYP2C9 P11712 2/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C19 P33261 1/20 0.39
THPO P40225 1/20 0.39
MAPK1 P28482 1/20 0.38
ATM Q13315 1/20 0.36
NAMPT P43490 2/20 0.35
TSHR P16473 3/20 0.35
KDM4E B2RXH2 2/20 0.35
GLA P06280 1/20 0.35
HSD17B10 Q99714 1/20 0.35
PDE4A P27815 3/20 0.34
PDE4B Q07343 3/20 0.34
PDE4C Q08493 3/20 0.34
PDE4D Q08499 3/20 0.34

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
SCHEMBL8875512 0.90 ALDH1A1 (0.43) ALDH1A1MAPTPKMCYP1A2CYP3A4
SCHEMBL8875521 0.86 ALDH1A1 (0.42) ALDH1A1MAPTPKMKDM4EKMT2A
SCHEMBL8873829 0.82 ALDH1A1 (0.55) ALDH1A1MAPTCYP1A2CYP3A4CYP2C9
SCHEMBL8873955 0.81 ATM (0.45) ALDH1A1MAPTCYP1A2CYP3A4CYP2C9
SCHEMBL8874241 0.80 ALDH1A1 (0.48) ALDH1A1MAPTCYP1A2CYP3A4CYP2C9
SCHEMBL8873879 0.78 ALDH1A1 (0.46) ALDH1A1MAPTCYP1A2CYP3A4CYP2C9
SCHEMBL8805287 0.77 ALDH1A1 (0.65) ALDH1A1MAPTPKMCYP1A2CYP3A4
Water SCHEMBL8136187 0.73 CYP1A2 (0.49) ALDH1A1MAPTPKMCYP1A2CYP3A4
SCHEMBL8874321 0.72 ALDH1A1 (0.44) ALDH1A1CYP1A2CYP3A4CYP2C9CYP2D6
SCHEMBL8873140 0.70 ALDH1A1 (0.57) ALDH1A1MAPTPKMCYP1A2CYP3A4

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