SCHEMBL4670823

SCHEMBL4670823

CN(C)C(=O)N1CCN(N2CCC(c3c[nH]c4c(F)c(F)c(F)c(F)c34)CC2)CC1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 2/20 0.41
ALDH1A1 P00352 2/20 0.33
KDM4E B2RXH2 1/20 0.33
BRD4 O60885 1/20 0.33
POLB P06746 1/20 0.33
CREBBP Q92793 1/20 0.33
HTR1F P30939 1/20 0.33
CCR2 P41597 3/20 0.33
KMT2A Q03164 2/20 0.30
MEN1 O00255 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
DRD2 P14416 1/20 0.30
HTR2A P28223 1/20 0.30
HTR7 P34969 1/20 0.30
KCNH2 Q12809 1/20 0.30
MAPT P10636 2/20 0.30
NPSR1 Q6W5P4 1/20 0.30

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
SCHEMBL7445328 0.77 MMP13 (0.35) IRAK4
SCHEMBL4671736 0.77 MMP13 (0.35) IRAK4
SCHEMBL4676088 0.75 SMN1; SMN2 (0.47) KMT2AMEN1SMN1; SMN2NPSR1
SCHEMBL7464250 0.74 IRAK4 (0.32) IRAK4CCR2
SCHEMBL4671247 0.70 CCR1 (0.46) ALDH1A1KDM4EKMT2AMEN1KCNH2
SCHEMBL4675436 0.68 SLC6A4 (0.54) HTR2A
SCHEMBL4671003 0.67 HTR2C (0.42) HTR1F
SCHEMBL4674797 0.65 MMP1 (0.35) HTR1F
SCHEMBL4670933 0.63 MMP1 (0.45) ALDH1A1HTR1FSMN1; SMN2MAPT
SCHEMBL4671176 0.62 IKBKB (0.36) HTR1F

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-0958287-B2 SULFAMIDE-METALLOPROTEASE INHIBITORS HOFFMANN LA ROCHE (CH) 2008-04-09 EP disclosed
EP-0958287-B1 SULFAMIDE-METALLOPROTEASE INHIBITORS HOFFMANN LA ROCHE (CH) 2002-09-11 EP disclosed