SCHEMBL4032289

SCHEMBL4032289

O=C(Cc1csc(-c2ccccc2)n1)NC1CCN(Cc2ccc(Cl)c(Cl)c2)CC1

nearest known ligand 0.70

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 12/20 0.70
MEN1 O00255 1/20 0.61
KMT2A Q03164 1/20 0.61
CCR1 P32246 1/20 0.57
CCR3 P51677 1/20 0.57
DRD2 P14416 1/20 0.57
DRD4 P21917 1/20 0.57
DRD3 P35462 1/20 0.57
MCHR1 Q99705 2/20 0.55

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
SCHEMBL6329318 0.87 SIGMAR1 (0.65) SIGMAR1MEN1KMT2ACCR1CCR3
SCHEMBL4033740 0.85 SIGMAR1 (0.67) SIGMAR1MEN1KMT2ACCR1CCR3
SCHEMBL4031563 0.84 SIGMAR1 (0.55) SIGMAR1MEN1KMT2ACCR1CCR3
SCHEMBL7091986 0.84 SIGMAR1 (0.60) SIGMAR1MEN1KMT2ACCR1CCR3
SCHEMBL4036818 0.81 SIGMAR1 (0.67) SIGMAR1MEN1KMT2ACCR1CCR3
SCHEMBL4023538 0.80 CCR3 (0.53) SIGMAR1CCR3DRD2DRD4DRD3
SCHEMBL6386061 0.79 SIGMAR1 (0.54) SIGMAR1MEN1KMT2ACCR1CCR3
SCHEMBL4036340 0.79 SIGMAR1 (0.68) SIGMAR1MEN1KMT2ACCR1CCR3
SCHEMBL4031255 0.78 SIGMAR1 (0.68) SIGMAR1MEN1KMT2ACCR1CCR3
SCHEMBL5592604 0.77 SIGMAR1 (0.62) SIGMAR1

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-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