SCHEMBL6473835

SCHEMBL6473835

O=C(NC1CCNCC1)C(C1CCCCC1)C1CCCCC1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 9/20 0.61
POLB P06746 1/20 0.48
SIGMAR1 Q99720 2/20 0.44
CHRM5 P08912 1/20 0.42
CHRM3 P20309 1/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
EPHX2 P34913 2/20 0.42
MAPT P10636 1/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
CYP3A4 P08684 1/20 0.42
TSHR P16473 1/20 0.38
HTT P42858 1/20 0.38
HSD17B10 Q99714 1/20 0.38
C3AR1 Q16581 1/20 0.38
GNAI3 P08754 1/20 0.38
GNAO1 P09471 1/20 0.38
GNAI1 P63096 1/20 0.38

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
SCHEMBL14086762 0.84 EPHX1 (0.59) EPHX1POLBSIGMAR1CHRM5CHRM3
SCHEMBL7502098 0.78 EPHX1 (0.57) EPHX1POLBSIGMAR1CHRM5CHRM3
SCHEMBL8232157 0.76 EPHX1 (1.00) EPHX1POLBSIGMAR1CHRM5CHRM3
SCHEMBL7427277 0.76 EPHX1 (1.00) EPHX1POLBSIGMAR1CHRM5CHRM3
SCHEMBL21575131 0.75 EPHX1 (0.41) EPHX1SIGMAR1CHRM5CHRM3NPC1
SCHEMBL8365416 0.75 HTR1E (0.61) MAPTCYP3A4TSHRHTTC3AR1
SCHEMBL255421 0.75 EPHX1 (0.59) EPHX1POLBSIGMAR1EPHX2GNAI3
SCHEMBL19086797 0.75 EPHX1 (0.59) EPHX1POLBSIGMAR1CHRM5CHRM3
SCHEMBL15733339 0.74 EPHX1 (0.96) EPHX1POLBSIGMAR1CHRM5CHRM3
SCHEMBL24323730 0.73 POLB (0.81) EPHX1POLBRAB9AEPHX2MAPT

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6867192-B1 Compounds useful in the treatment of inflammatory diseases GLAXO GROUP LIMITED (GB) 2005-03-15 US disclosed
EP-1140837-B1 COMPOUNDS USEFUL IN THE TREATMENT OF INFLAMMATORY DISEASES GLAXO GROUP LTD (GB) 2004-08-18 EP disclosed
CN-1330637-A Compounds useful in treatment of infammatory diseases GLAXO GROUP LTD (GB) 2002-01-09 CN disclosed
EP-1140837-A1 COMPOUNDS USEFUL IN THE TREATMENT OF INFLAMMATORY DISEASES GLAXO GROUP LIMITED (GB) 2001-10-10 EP disclosed
WO-2000037444-A1 COMPOUNDS USEFUL IN THE TREATMENT OF INFLAMMATORY DISEASES GLAXO GROUP LIMITED (GB) 2000-06-29 WO disclosed