SCHEMBL7487237

SCHEMBL7487237

NC(=O)N(c1ccc(Cl)c(Cl)c1)C1CCN(Cc2ccc(Cl)c(Cl)c2)CC1

nearest known ligand 0.65

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 5/20 0.65
CHRM3 P20309 5/20 0.65
OPRD1 P41143 1/20 0.53
SIGMAR1 Q99720 3/20 0.53
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
SMN1; SMN2 Q16637 3/20 0.52
KDM4E B2RXH2 1/20 0.52
ALDH1A1 P00352 1/20 0.52
HRH3 Q9Y5N1 1/20 0.50
ARG1 P05089 2/20 0.48
ARG2 P78540 2/20 0.48
MCHR1 Q99705 1/20 0.48
POLB P06746 1/20 0.48

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
SCHEMBL924276 0.78 OPRM1 (0.77) CHRM2CHRM3OPRD1SIGMAR1MEN1
SCHEMBL2212897 0.77 CHRM2 (0.55) CHRM2CHRM3OPRD1SIGMAR1MEN1
SCHEMBL8569723 0.76 CHRM2 (0.70) CHRM2CHRM3OPRD1SIGMAR1MEN1
SCHEMBL7497962 0.75 GAA (0.60) CHRM2CHRM3SIGMAR1MEN1KMT2A
SCHEMBL7312986 0.74 SMN1; SMN2 (0.68) SIGMAR1MEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL3775423 0.74 OPRD1 (0.54) CHRM2CHRM3OPRD1SIGMAR1SMN1; SMN2
SCHEMBL6312739 0.74 SIGMAR1 (0.76) SIGMAR1MEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL3150313 0.73 SMN1; SMN2 (0.65) SIGMAR1MEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL6105478 0.73 CHRM2 (0.52) CHRM2CHRM3OPRD1SIGMAR1MEN1
SCHEMBL12511819 0.73 SIGMAR1 (0.70) SIGMAR1MEN1KMT2ASMN1; SMN2KDM4E

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