SCHEMBL7716583

SCHEMBL7716583

OCCN1CCN(c2ncncc2Oc2ccc(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 0.44
MAPT P10636 3/20 0.44
HTT P42858 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
TSHR P16473 2/20 0.44
GAA P10253 1/20 0.44
NR2F2 P24468 1/20 0.44
RAB9A P51151 1/20 0.44
TP53 P04637 1/20 0.44
HSD17B10 Q99714 2/20 0.43
ALDH1A1 P00352 1/20 0.43
HRH1 P35367 4/20 0.43
KMT2A Q03164 2/20 0.42
PDE10A Q9Y233 1/20 0.42
ALOX15 P16050 1/20 0.41
HRH3 Q9Y5N1 2/20 0.41
HRH2 P25021 1/20 0.41
LTA4H P09960 1/20 0.40
PTGS2 P35354 1/20 0.40

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
SCHEMBL8136827 0.85 CYP1A2 (0.41) LMNAHPGDMAPTHTTSMN1; SMN2
SCHEMBL7716613 0.84 HRH4 (0.52) LMNAHPGDMAPTHTTSMN1; SMN2
SCHEMBL7714501 0.84 LMNA (0.46) LMNAHPGDMAPTHTTSMN1; SMN2
SCHEMBL7714708 0.83 LMNA (0.46) LMNAHPGDMAPTHTTSMN1; SMN2
SCHEMBL7708442 0.82 LMNA (0.45) LMNAHPGDMAPTHTTSMN1; SMN2
SCHEMBL7714381 0.80 MEN1 (0.49) LMNAHPGDMAPTHTTSMN1; SMN2
SCHEMBL7716737 0.79 ALDH1A1 (0.48) LMNAHPGDMAPTHTTSMN1; SMN2
SCHEMBL7712468 0.79 MEN1 (0.51) LMNAHPGDMAPTHTTSMN1; SMN2
SCHEMBL7714147 0.78 ALDH1A1 (0.44) LMNAHPGDMAPTHTTSMN1; SMN2
SCHEMBL7716602 0.78 LMNA (0.42) LMNAHPGDMAPTHTTTSHR

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