SCHEMBL4034703

SCHEMBL4034703

O=C(CSc1ccncc1)NC1CCN(Cc2ccc(F)c(F)c2)CC1

nearest known ligand 0.62

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 13/20 0.62
MCHR1 Q99705 1/20 0.50
CCR3 P51677 5/20 0.48
CCR1 P32246 3/20 0.48
ALDH1A1 P00352 1/20 0.46

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
SCHEMBL4040184 0.79 SIGMAR1 (0.74) SIGMAR1MCHR1
SCHEMBL8023864 0.77 SIGMAR1 (1.00) SIGMAR1CCR3
SCHEMBL6328866 0.76 SIGMAR1 (0.70) SIGMAR1MCHR1CCR3ALDH1A1
SCHEMBL4031095 0.75 SIGMAR1 (0.74) SIGMAR1CCR3CCR1
SCHEMBL4196888 0.75 SIGMAR1 (0.62) SIGMAR1MCHR1CCR3
SCHEMBL4201490 0.75 CCR3 (0.66) SIGMAR1MCHR1CCR3
SCHEMBL4206237 0.73 SIGMAR1 (0.56) SIGMAR1MCHR1CCR3
SCHEMBL4205936 0.72 CCR3 (0.64) MCHR1CCR3
SCHEMBL5120412 0.72 SIGMAR1 (0.72) SIGMAR1MCHR1CCR3CCR1
SCHEMBL4032574 0.71 SIGMAR1 (0.77) SIGMAR1MCHR1CCR3CCR1

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