SCHEMBL4970299

SCHEMBL4970299

COc1cccc(C(=O)O)c1N1CCC(CN2CCC(Cc3ccc(F)cc3)CC2)CC1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 10/20 0.52
CCR5 P51681 1/20 0.52
SIGMAR1 Q99720 2/20 0.51
HTR1A P08908 1/20 0.51
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
MAPK14 Q16539 1/20 0.50
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
HTR2A P28223 1/20 0.46
GRM2 Q14416 1/20 0.46
KDM4E B2RXH2 1/20 0.46
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
SCHEMBL4969428 0.91 SIGMAR1 (0.50) CCR3CCR5SIGMAR1HTR1ACYP2C9
SCHEMBL4968189 0.87 CCR3 (0.51) CCR3SIGMAR1HTR1ACYP2C9CYP2C19
SCHEMBL4967412 0.81 CCR3 (0.55) CCR3SIGMAR1MEN1KMT2A
SCHEMBL4968976 0.78 CCR3 (0.57) CCR3CCR5MEN1KMT2AKDM4E
SCHEMBL4969395 0.76 LIPG (0.57) CCR3CCR5SIGMAR1HTR2A
SCHEMBL4969159 0.75 HRH1 (0.57) CCR3
SCHEMBL4968718 0.75 HRH1 (0.62) CCR3
SCHEMBL4968548 0.72 HRH1 (0.58) CCR3
SCHEMBL4965105 0.72 CCR3 (0.49) CCR3CCR5HTR2A
SCHEMBL4155971 0.71 CCR3 (0.57) CCR3MEN1KMT2A

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