SCHEMBL9385384

SCHEMBL9385384

O=C(O)c1cn(C2CCCN3CCCCC23)c2ccccc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.54
PLK1 P53350 2/20 0.45
ALDH1A1 P00352 2/20 0.45
GAA P10253 2/20 0.45
HPGD P15428 1/20 0.45
HSD17B10 Q99714 1/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
SIGMAR1 Q99720 1/20 0.41
OPRM1 P35372 1/20 0.41
OPRD1 P41143 1/20 0.41
OPRK1 P41145 1/20 0.41
OPRL1 P41146 1/20 0.41
TSHR P16473 2/20 0.40
LMNA P02545 1/20 0.40
MBTD1 Q05BQ5 1/20 0.40
TP53BP1 Q12888 1/20 0.40
L3MBTL3 Q96JM7 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
HTT P42858 1/20 0.39

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
SCHEMBL12486470 0.77 KDM4E (0.69) KDM4EPLK1ALDH1A1GAAHPGD
SCHEMBL10366239 0.76 ICMT (0.44) KDM4EPLK1GAAMEN1KMT2A
SCHEMBL11015329 0.73 GAA (0.45) KDM4EGAASIGMAR1OPRM1OPRK1
SCHEMBL7302304 0.71 KDM4E (0.61) KDM4EPLK1ALDH1A1GAAHPGD
SCHEMBL2679599 0.70 KDM4E (1.00) KDM4EALDH1A1GAAHPGDHSD17B10
SCHEMBL7301108 0.70 KDM4E (0.56) KDM4EPLK1ALDH1A1GAAHPGD
SCHEMBL9381025 0.69 CNR1 (0.51) KDM4EPLK1TSHRLMNA
SCHEMBL3724622 0.69 HTR3A (0.56) KDM4EALDH1A1GAAHPGDHSD17B10
SCHEMBL3724624 0.69 HTR3A (0.56) KDM4EALDH1A1GAAHPGDHSD17B10
SCHEMBL7490360 0.69 HTR3A (0.56) KDM4EALDH1A1GAAHPGDHSD17B10

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-0603220-A1 AZABICYCLIC COMPOUNDS AS 5-HT 4? RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1994-06-29 EP disclosed