SCHEMBL8874782

SCHEMBL8874782

O=C1N(N2CCCCC2)c2ccccc2C1(Cc1ccccc1)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.36
PDE4B Q07343 1/20 0.36
PDE4C Q08493 1/20 0.36
PDE4D Q08499 1/20 0.36
OPRM1 P35372 1/20 0.36
OPRK1 P41145 1/20 0.36
OPRL1 P41146 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
ITGB2 P05107 1/20 0.36
ICAM1 P05362 1/20 0.36
ITGAL P20701 1/20 0.36
ALDH1A1 P00352 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
THPO P40225 1/20 0.35
TSHR P16473 1/20 0.35
LMNA P02545 1/20 0.35

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
SCHEMBL8873632 0.92 CYP1A2 (0.47) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL8873178 0.85 ALDH1A1 (0.46) OPRM1OPRK1OPRL1L3MBTL1ITGB2
SCHEMBL9079903 0.83 KCNQ2 (0.46) PDE4APDE4BPDE4CPDE4DOPRM1
SCHEMBL8873879 0.80 ALDH1A1 (0.46) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL8873140 0.75 ALDH1A1 (0.57) PDE4APDE4BPDE4CPDE4DL3MBTL1
SCHEMBL8873348 0.73 KCNQ2 (0.44) PDE4APDE4BPDE4CPDE4DOPRM1
SCHEMBL8874434 0.73 ATM (0.47) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL8874321 0.72 ALDH1A1 (0.44) ITGB2ICAM1ITGALALDH1A1CYP1A2
SCHEMBL8874128 0.72 ALDH1A1 (0.50) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL8875512 0.68 ALDH1A1 (0.43) PDE4APDE4BPDE4CPDE4DOPRM1

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