SCHEMBL8873140

SCHEMBL8873140

O=C1N(N2CCCCC2)c2ccccc2C1(Cc1ccncc1)Cc1ccncc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.57
CYP1A2 P05177 3/20 0.57
CYP3A4 P08684 3/20 0.57
CYP2C9 P11712 2/20 0.57
CYP2D6 P10635 1/20 0.57
CYP2C19 P33261 1/20 0.57
THPO P40225 1/20 0.57
MAPK1 P28482 2/20 0.55
KCNQ2 O43526 1/20 0.46
ALOX15 P16050 1/20 0.46
TSHR P16473 1/20 0.46
ATM Q13315 1/20 0.39
PDE4A P27815 5/20 0.37
PDE4B Q07343 5/20 0.37
PDE4C Q08493 5/20 0.37
PDE4D Q08499 5/20 0.37
MAPT P10636 1/20 0.34
HSD17B10 Q99714 1/20 0.34
TDP1 Q9NUW8 2/20 0.34
L3MBTL1 Q9Y468 2/20 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
SCHEMBL8874128 0.90 ALDH1A1 (0.50) ALDH1A1CYP1A2CYP3A4CYP2C9CYP2D6
SCHEMBL8873178 0.89 ALDH1A1 (0.46) ALDH1A1CYP1A2CYP3A4CYP2C9CYP2D6
SCHEMBL8873829 0.88 ALDH1A1 (0.55) ALDH1A1CYP1A2CYP3A4CYP2C9CYP2D6
Hydrochloric Acid SCHEMBL8874374 0.86 MAPK1 (0.55) ALDH1A1CYP1A2CYP3A4CYP2C9CYP2D6
SCHEMBL8874434 0.86 ATM (0.47) ALDH1A1CYP1A2CYP3A4CYP2C9CYP2D6
Hydrochloric Acid SCHEMBL9391508 0.85 MAPK1 (0.57) ALDH1A1CYP1A2CYP3A4CYP2C9CYP2D6
SCHEMBL8873632 0.85 CYP1A2 (0.47) ALDH1A1CYP1A2CYP3A4CYP2C9CYP2D6
SCHEMBL8875512 0.81 ALDH1A1 (0.43) ALDH1A1CYP1A2CYP3A4CYP2C9CYP2D6
SCHEMBL8874241 0.79 ALDH1A1 (0.48) ALDH1A1CYP1A2CYP3A4CYP2C9CYP2D6
SCHEMBL8874321 0.76 ALDH1A1 (0.44) ALDH1A1CYP1A2CYP3A4CYP2C9CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1994007891-A1 1-SUBSTITUTED OXINDOLES AND AZAOXINDOLES AS NOVEL COGNITION ENHANCERS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1994-04-14 WO claimed
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