SCHEMBL4036340

SCHEMBL4036340

O=C(Cc1nnc(-c2ccccc2)o1)NC1CCN(Cc2ccc(Cl)c(Cl)c2)CC1

nearest known ligand 0.68

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 15/20 0.68
MEN1 O00255 1/20 0.60
KMT2A Q03164 1/20 0.60
MCHR1 Q99705 1/20 0.52
CCR1 P32246 1/20 0.52
CCR3 P51677 1/20 0.52

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
Acetic Acid SCHEMBL4031589 0.97 SIGMAR1 (0.65) SIGMAR1MEN1KMT2AMCHR1CCR1
SCHEMBL6330761 0.85 SIGMAR1 (0.66) SIGMAR1MEN1KMT2ACCR1CCR3
SCHEMBL4031594 0.79 SIGMAR1 (0.52) SIGMAR1MEN1KMT2AMCHR1CCR1
SCHEMBL4032289 0.79 SIGMAR1 (0.70) SIGMAR1MEN1KMT2AMCHR1CCR1
SCHEMBL4031641 0.78 POLB (0.70) SIGMAR1MEN1KMT2AMCHR1
SCHEMBL4034910 0.78 SIGMAR1 (0.66) SIGMAR1MEN1KMT2AMCHR1CCR1
SCHEMBL12510991 0.77 CCR3 (0.58) SIGMAR1MEN1KMT2AMCHR1CCR1
SCHEMBL4033740 0.77 SIGMAR1 (0.67) SIGMAR1MEN1KMT2AMCHR1CCR1
SCHEMBL4036818 0.77 SIGMAR1 (0.67) SIGMAR1MEN1KMT2AMCHR1CCR1
Hydrochloric Acid SCHEMBL2239179 0.77 CCR3 (0.58) SIGMAR1MEN1KMT2AMCHR1CCR1

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 1 patent. 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