SCHEMBL7716602

SCHEMBL7716602

OCCNc1ncc(Oc2ccc(Cl)cc2)c(N2CCN(CCO)CC2)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.42
GBA1 P04062 4/20 0.39
HPGD P15428 2/20 0.39
ALDH1A1 P00352 2/20 0.39
HSD17B10 Q99714 1/20 0.39
ESR1 P03372 1/20 0.39
ESR2 Q92731 1/20 0.39
MKNK1 Q9BUB5 1/20 0.39
MKNK2 Q9HBH9 1/20 0.39
MERTK Q12866 1/20 0.38
HRH4 Q9H3N8 1/20 0.38
SRC P12931 1/20 0.38
HTR2A P28223 1/20 0.38
ADRA1D P25100 1/20 0.38
ADRA1A P35348 1/20 0.38
ADRA1B P35368 1/20 0.38
KDM4E B2RXH2 2/20 0.37
HTT P42858 2/20 0.37
MAPT P10636 1/20 0.37
TSHR P16473 1/20 0.37

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
SCHEMBL7714168 0.92 LMNA (0.39) LMNAHPGDALDH1A1HSD17B10ESR1
SCHEMBL7714319 0.86 LMNA (0.41) LMNAHPGDALDH1A1HSD17B10HRH4
SCHEMBL7714114 0.85 HTR2A (0.48) LMNAALDH1A1SRCHTR2AKDM4E
SCHEMBL7714501 0.85 LMNA (0.46) LMNAHPGDALDH1A1HSD17B10HRH4
SCHEMBL7714708 0.84 LMNA (0.46) LMNAHPGDALDH1A1HSD17B10HRH4
SCHEMBL7714041 0.84 HTR2A (0.45) SRCHTR2ARAB9AHTR1A
SCHEMBL7716587 0.84 SRC (0.43) LMNASRCHTR2A
SCHEMBL7708442 0.83 LMNA (0.45) LMNAHPGDALDH1A1HSD17B10HRH4
SCHEMBL7714381 0.81 MEN1 (0.49) LMNAHPGDALDH1A1HSD17B10SRC
SCHEMBL7716737 0.80 ALDH1A1 (0.48) LMNAHPGDALDH1A1HSD17B10HRH4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6440965-B1 Substituted pyrimidine derivatives, their preparation and their use in the treatment of neurodegenerative or neurological disorders of the central nervous system KRENITSKY PHARMACEUTICALS, INC. 2002-08-27 US claimed
EP-1025091-A1 SUBSTITUTED PYRIMIDINE DERIVATIVES, THEIR PREPARATION AND THEIR USE IN THE TREATMENT OF NEURODEGENERATIVE OR NEUROLOGICAL DISORDERS OF THE CENTRAL NERVOUS SYSTEM Krenitsky Pharmaceuticals, Inc. (US) 2000-08-09 EP claimed
WO-1999019305-A2 SUBSTITUTED PYRIMIDINE DERIVATIVES, THEIR PREPARATION AND THEIR USE IN THE TREATMENT OF NEURODEGENERATIVE OR NEUROLOGICAL DISORDERS OF THE CENTRAL NERVOUS SYSTEM KRENITSKY PHARMACEUTICALS INC. (US) 1999-04-22 WO claimed
US-6440965-B1 Substituted pyrimidine derivatives, their preparation and their use in the treatment of neurodegenerative or neurological disorders of the central nervous system KRENITSKY PHARMACEUTICALS, INC. 2002-08-27 US disclosed