SCHEMBL4033274

SCHEMBL4033274

O=C(Cc1ccccc1F)NCCNCC1CCN(Cc2ccc(Cl)c(Cl)c2)CC1

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 8/20 0.55
CCR3 P51677 1/20 0.54
POLB P06746 1/20 0.51
KMT2A Q03164 2/20 0.50
MEN1 O00255 1/20 0.50
NPC1 O15118 1/20 0.48
CXCR4 P61073 5/20 0.47

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
SCHEMBL4033268 0.83 SIGMAR1 (0.52) SIGMAR1CCR3KMT2AMEN1NPC1
SCHEMBL5832503 0.78 CCR3 (0.60) SIGMAR1CCR3KMT2AMEN1NPC1
SCHEMBL8035527 0.71 SIGMAR1 (1.00) SIGMAR1NPC1
SCHEMBL8023923 0.71 SIGMAR1 (1.00) SIGMAR1
SCHEMBL6993451 0.71 SIGMAR1 (0.67) SIGMAR1
SCHEMBL5833095 0.71 CCR3 (0.58) SIGMAR1CCR3KMT2AMEN1NPC1
SCHEMBL5743274 0.70 SIGMAR1 (0.59) SIGMAR1CCR3POLBKMT2AMEN1
SCHEMBL18840775 0.70 CCR3 (1.00) CCR3
SCHEMBL3937233 0.70 MEN1 (0.60) SIGMAR1KMT2AMEN1
SCHEMBL8033644 0.70 SIGMAR1 (1.00) SIGMAR1NPC1

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