SCHEMBL880730

SCHEMBL880730

CCCCC(CC)n1nc(C)c2cc(C(=O)NC3CCCCC3)sc21

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.56
ALDH1A1 P00352 1/20 0.56
LMNA P02545 1/20 0.56
GLA P06280 1/20 0.56
PKM P14618 1/20 0.56
HPGD P15428 1/20 0.56
TSHR P16473 1/20 0.56
NPSR1 Q6W5P4 1/20 0.56
PDE7A Q13946 18/20 0.54
NPC1 O15118 1/20 0.49
HTT P42858 1/20 0.49
RAB9A P51151 1/20 0.49

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
SCHEMBL854148 0.75 PDE7A (0.88) PDE7A
SCHEMBL854150 0.75 PDE7A (0.88) PDE7A
SCHEMBL13076083 0.74 PDE7A (0.65) PDE7A
Bicarbonate SCHEMBL14775793 0.74 PDE7A (0.84) PDE7A
Bicarbonate SCHEMBL14775802 0.74 PDE7A (0.84) PDE7A
SCHEMBL854824 0.73 PDE7A (0.92) PDE7A
SCHEMBL880739 0.73 PDE7A (0.67) PDE7A
SCHEMBL853140 0.72 PDE7A (0.69) PDE7A
SCHEMBL880652 0.71 PDE7A (0.85) PDE7A
SCHEMBL12808500 0.71 PDE7A (0.75) PDE7A

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-2433943-A1 Thienopyrazole derivatives having PDE7 inhibitory activity Daiichi Sankyo Company, Limited (JP) 2012-03-28 EP disclosed