SCHEMBL4033740

SCHEMBL4033740

O=C(Cc1nc(-c2ccccc2)cs1)NC1CCN(Cc2ccc(Cl)c(Cl)c2)CC1

nearest known ligand 0.67

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 13/20 0.67
CCR1 P32246 2/20 0.60
CCR3 P51677 2/20 0.60
MEN1 O00255 1/20 0.59
KMT2A Q03164 1/20 0.59
MCHR1 Q99705 1/20 0.51

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
SCHEMBL4032289 0.85 SIGMAR1 (0.70) SIGMAR1CCR1CCR3MEN1KMT2A
SCHEMBL12511823 0.84 CCR3 (0.53) SIGMAR1CCR1CCR3MEN1KMT2A
SCHEMBL2210918 0.82 UTS2R (0.49) SIGMAR1CCR1CCR3MEN1KMT2A
SCHEMBL4036818 0.80 SIGMAR1 (0.67) SIGMAR1CCR1CCR3MEN1KMT2A
SCHEMBL2214628 0.79 SIGMAR1 (0.58) SIGMAR1CCR1CCR3MEN1KMT2A
SCHEMBL2247064 0.79 SIGMAR1 (0.46) SIGMAR1CCR1CCR3MEN1KMT2A
SCHEMBL2214629 0.79 SIGMAR1 (0.58) SIGMAR1CCR1CCR3MEN1KMT2A
SCHEMBL6329318 0.79 SIGMAR1 (0.65) SIGMAR1CCR1CCR3MEN1KMT2A
SCHEMBL12511619 0.78 SIGMAR1 (0.47) SIGMAR1CCR1CCR3MEN1KMT2A
SCHEMBL2210708 0.78 CCR3 (0.68) SIGMAR1CCR1CCR3MEN1KMT2A

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