SCHEMBL4034602

SCHEMBL4034602

O=C(Cc1ccc(O)cc1)NC1CCN(Cc2ccc(Cl)c(Cl)c2)CC1

nearest known ligand 0.83

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 15/20 0.83
MEN1 O00255 1/20 0.65
KMT2A Q03164 1/20 0.65
MCHR1 Q99705 1/20 0.59

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
SCHEMBL4034737 0.89 SIGMAR1 (0.81) SIGMAR1MEN1KMT2A
SCHEMBL2213082 0.86 SIGMAR1 (0.76) SIGMAR1MEN1KMT2AMCHR1
SCHEMBL7487718 0.85 SIGMAR1 (0.74) SIGMAR1MEN1KMT2AMCHR1
SCHEMBL2212892 0.85 SIGMAR1 (0.73) SIGMAR1MEN1KMT2AMCHR1
SCHEMBL6312739 0.84 SIGMAR1 (0.76) SIGMAR1MEN1KMT2AMCHR1
SCHEMBL6327856 0.83 SIGMAR1 (0.71) SIGMAR1MEN1KMT2AMCHR1
SCHEMBL4034921 0.83 MCHR1 (0.77) SIGMAR1MEN1KMT2AMCHR1
SCHEMBL12511819 0.83 SIGMAR1 (0.70) SIGMAR1MEN1KMT2AMCHR1
SCHEMBL4976899 0.83 SIGMAR1 (0.70) SIGMAR1MEN1KMT2AMCHR1
SCHEMBL4036167 0.82 SIGMAR1 (0.70) SIGMAR1MEN1KMT2AMCHR1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1212299-B1 SUBSTITUTED PIPERIDINE COMPOUNDS USEFUL AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY ASTRAZENECA UK LTD (GB) 2009-04-08 EP claimed
EP-1212299-B1 SUBSTITUTED PIPERIDINE COMPOUNDS USEFUL AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY ASTRAZENECA UK LTD (GB) 2009-04-08 EP disclosed
US-6903085-B1 Substituted piperidine compounds useful as modulators of chemokine receptor activity ASTRAZENECA, AB (CH) 2005-06-07 US disclosed
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