SCHEMBL4811312

SCHEMBL4811312

CC(c1ccccc1)C(C1CCCNC1)N1CCN(c2ccc3cccnc3n2)CC1.Cc1nc2ccccc2nc1N1CCN(C(C2CCCNC2)C(C)c2ccccc2)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SORD Q00796 2/20 0.41
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 2/20 0.36
LMNA P02545 2/20 0.36
HPGD P15428 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
CYP1A2 P05177 1/20 0.35
TSHR P16473 2/20 0.35
PDE10A Q9Y233 2/20 0.35
HRH3 Q9Y5N1 2/20 0.35
HRH4 Q9H3N8 1/20 0.34
IRAK4 Q9NWZ3 2/20 0.33
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
POLB P06746 1/20 0.31
MAPT P10636 1/20 0.31
HTT P42858 1/20 0.31
HSD17B10 Q99714 1/20 0.31
MAPK10 P53779 1/20 0.31

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
SCHEMBL1778488 0.91 LMNA (0.38) SORDKDM4EALDH1A1LMNAHPGD
SCHEMBL1777609 0.88 CYP1A2 (0.45) SORDKDM4EALDH1A1LMNATDP1
SCHEMBL1778330 0.83 KDM4E (0.53) SORDKDM4EALDH1A1LMNAHPGD
SCHEMBL1779772 0.79 TSHR (0.35) KDM4EALDH1A1LMNAHPGDSMN1; SMN2
SCHEMBL1777055 0.79 NPC1 (0.45) SORDKDM4EALDH1A1LMNAHPGD
SCHEMBL1779941 0.76 SLC6A2 (0.37) KDM4EALDH1A1LMNAHPGDSMN1; SMN2
SCHEMBL1778793 0.75 KDM4E (0.41) KDM4EALDH1A1LMNAHPGDSMN1; SMN2
SCHEMBL4811316 0.75 SORD (0.41) SORDKDM4EALDH1A1LMNAHPGD
SCHEMBL1779189 0.67 OGA (0.38) KDM4EALDH1A1LMNASMN1; SMN2TSHR
SCHEMBL1777669 0.66 KDM4E (0.52) SORDKDM4EALDH1A1LMNAHPGD

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
EP-1966187-A1 PIPERAZINE COMPOUNDS USEFUL AS ANTAGONISTS OF C-C CHEMOKINES (CCR2B AND CCR5) FOR THE TREATMENT OF INFLAMMATORY DISEASES AstraZeneca AB (SE) 2008-09-10 EP disclosed
WO-2007071952-A1 PIPERAZINE COMPOUNDS USEFUL AS ANTAGONISTS OF C-C CHEMOKINES (CCR2B AND CCR5) FOR THE TREATMENT OF INFLAMMATORY DISEASES ASTRAZENECA AB (SE) 2007-06-28 WO disclosed