SCHEMBL7712503

SCHEMBL7712503

OCCN1CCN(c2nc(N3CCOCC3)ncc2Oc2ccc(Cl)cc2)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
HTT P42858 2/20 0.48
NPSR1 Q6W5P4 1/20 0.48
LMNA P02545 2/20 0.41
KDM4E B2RXH2 3/20 0.41
SRC P12931 1/20 0.39
ALDH1A1 P00352 6/20 0.39
CASP1 P29466 4/20 0.39
CASP7 P55210 4/20 0.39
CYP1A2 P05177 3/20 0.39
CYP2C9 P11712 3/20 0.39
HIF1A Q16665 2/20 0.39
CYP3A4 P08684 2/20 0.39
HTR2A P28223 1/20 0.39
MAPK1 P28482 1/20 0.39
GBA1 P04062 1/20 0.39
USP2 O75604 3/20 0.39
TSHR P16473 3/20 0.39
MAPT P10636 2/20 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 0.94 LMNA (0.46) MEN1KMT2AHTTLMNAKDM4E
SCHEMBL7714381 0.91 MEN1 (0.49) MEN1KMT2AHTTLMNAKDM4E
SCHEMBL7716737 0.90 ALDH1A1 (0.48) MEN1KMT2AHTTLMNAKDM4E
SCHEMBL7712468 0.90 MEN1 (0.51) MEN1KMT2AHTTLMNAKDM4E
SCHEMBL7716698 0.89 HTR1A (0.46) KMT2AHTTLMNAKDM4EALDH1A1
SCHEMBL7714147 0.89 ALDH1A1 (0.44) MEN1KMT2AHTTLMNAKDM4E
SCHEMBL7714150 0.88 MEN1 (0.61) MEN1KMT2AHTTNPSR1KDM4E
SCHEMBL7708411 0.87 SRC (0.41) MEN1KMT2AHTTLMNAKDM4E
SCHEMBL7714712 0.86 KMT2A (0.54) MEN1KMT2AHTTNPSR1KDM4E
SCHEMBL7708460 0.86 KMT2A (0.54) MEN1KMT2AHTTNPSR1KDM4E

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 2 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
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