SCHEMBL7567069

SCHEMBL7567069

O=C(NCCc1ccccc1)c1ccccc1C(=O)NC1CCN(Cc2ccc(Cl)c(Cl)c2)CC1

nearest known ligand 0.70

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.70
KMT2A Q03164 2/20 0.70
SIGMAR1 Q99720 4/20 0.67
SLC6A12 P48065 2/20 0.61
POLB P06746 1/20 0.59
MAPT P10636 1/20 0.58
HTT P42858 1/20 0.58
DRD4 P21917 3/20 0.57
MCHR1 Q99705 1/20 0.56

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
SCHEMBL4041470 0.83 POLB (0.77) MEN1KMT2ASIGMAR1SLC6A12POLB
SCHEMBL4034750 0.82 MEN1 (0.67) MEN1KMT2ASIGMAR1SLC6A12POLB
SCHEMBL17946338 0.80 KMT2A (0.80) MEN1KMT2ASIGMAR1SLC6A12DRD4
SCHEMBL6312739 0.79 SIGMAR1 (0.76) MEN1KMT2ASIGMAR1SLC6A12MAPT
SCHEMBL4039743 0.78 MEN1 (0.64) MEN1KMT2ASIGMAR1SLC6A12POLB
SCHEMBL9591760 0.77 KMT2A (0.83) MEN1KMT2ASIGMAR1POLBDRD4
SCHEMBL2213082 0.77 SIGMAR1 (0.76) MEN1KMT2ASIGMAR1MCHR1
SCHEMBL29827636 0.76 SLC6A12 (1.00) SIGMAR1SLC6A12POLBDRD4
SCHEMBL12511819 0.76 SIGMAR1 (0.70) MEN1KMT2ASIGMAR1MAPTMCHR1
SCHEMBL4976899 0.76 SIGMAR1 (0.70) MEN1KMT2ASIGMAR1POLBMAPT

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-1212299-A1 SUBSTITUTED PIPERIDINE COMPOUNDS USEFUL AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY AstraZeneca UK Limited (GB) 2002-06-12 EP disclosed
WO-2001014333-A1 SUBSTITUTED PIPERIDINE COMPOUNDS USEFUL AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY ASTRAZENECA UK LIMITED (GB) 2001-03-01 WO disclosed