SCHEMBL7714501

SCHEMBL7714501

OCCN1CCN(c2nc(Cl)ncc2Oc2ccc(Cl)cc2)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.46
HPGD P15428 3/20 0.43
ALDH1A1 P00352 3/20 0.43
HSD17B10 Q99714 1/20 0.43
LTA4H P09960 1/20 0.40
PTGS2 P35354 1/20 0.40
ROCK2 O75116 3/20 0.40
ROCK1 Q13464 3/20 0.40
MAPT P10636 3/20 0.40
TSHR P16473 3/20 0.40
HTT P42858 3/20 0.40
KDM4E B2RXH2 3/20 0.40
RAB9A P51151 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
METAP1 P53582 1/20 0.40
GAA P10253 1/20 0.40
NR2F2 P24468 1/20 0.40
HRH4 Q9H3N8 1/20 0.40
TP53 P04637 2/20 0.39
SRC P12931 1/20 0.39

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
SCHEMBL7714708 0.90 LMNA (0.46) LMNAHPGDALDH1A1HSD17B10LTA4H
SCHEMBL7708442 0.89 LMNA (0.45) LMNAHPGDALDH1A1HSD17B10LTA4H
SCHEMBL7714381 0.87 MEN1 (0.49) LMNAHPGDALDH1A1HSD17B10LTA4H
SCHEMBL7712468 0.86 MEN1 (0.51) LMNAHPGDALDH1A1HSD17B10LTA4H
SCHEMBL7716737 0.86 ALDH1A1 (0.48) LMNAHPGDALDH1A1HSD17B10MAPT
SCHEMBL7714147 0.85 ALDH1A1 (0.44) LMNAHPGDALDH1A1HSD17B10MAPT
SCHEMBL7716602 0.85 LMNA (0.42) LMNAHPGDALDH1A1HSD17B10ROCK2
SCHEMBL7714152 0.84 HRH4 (0.55) RAB9ASMN1; SMN2GAAHRH4HTR1A
SCHEMBL7712503 0.84 MEN1 (0.49) LMNAALDH1A1HSD17B10MAPTTSHR
SCHEMBL7716583 0.84 LMNA (0.46) LMNAHPGDALDH1A1HSD17B10LTA4H

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
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
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 disclosed
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 disclosed