SCHEMBL4968976

SCHEMBL4968976

COC(=O)c1ccccc1N1CCC(CN2CCC(Cc3ccc(F)cc3)CC2)CC1

nearest known ligand 0.57

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 11/20 0.57
KDM4E B2RXH2 1/20 0.51
MAPK1 P28482 1/20 0.51
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
CCR5 P51681 1/20 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
SCHEMBL4967412 0.87 CCR3 (0.55) CCR3MEN1KMT2A
SCHEMBL4965105 0.87 CCR3 (0.49) CCR3CCR5
SCHEMBL4969395 0.80 LIPG (0.57) CCR3CCR5
SCHEMBL4970299 0.78 CCR3 (0.52) CCR3KDM4EMEN1KMT2ACCR5
SCHEMBL4155971 0.74 CCR3 (0.57) CCR3MEN1KMT2A
SCHEMBL4968313 0.74 HRH1 (0.81) CCR3
SCHEMBL4967234 0.73 HRH1 (0.58) CCR3
SCHEMBL6704607 0.72 CCR3 (1.00) CCR3KDM4EMAPK1
SCHEMBL13698798 0.72 ALDH1A1 (0.59) KDM4EMEN1KMT2A
SCHEMBL4967140 0.72 HRH1 (0.69) CCR3

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-1625114-B1 Piperidine derivatives for the the treatment of chemokine or H1 mediated diseases ASTRAZENECA AB (SE) 2008-08-27 EP disclosed