Ethane

Ethane

SCHEMBL7586900

CC.CCN1CCN(S(=O)(=O)c2cc3cc-3c2F)CC1c1ccccc1

nearest known ligand 0.41

Full drug profile on Sugi Atlas →

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.41
NR1H2 P55055 14/20 0.36
NR1H3 Q13133 13/20 0.36
TSHR P16473 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
CNR1 P21554 1/20 0.36
ALDH1A1 P00352 2/20 0.35
LMNA P02545 2/20 0.35
HTT P42858 2/20 0.35
USP2 O75604 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
MEN1 O00255 1/20 0.35
MAPK1 P28482 1/20 0.35
KMT2A Q03164 1/20 0.35
CHRNB2 P17787 1/20 0.35
CHRNB4 P30926 1/20 0.35
CHRNA3 P32297 1/20 0.35
CHRNA4 P43681 1/20 0.35

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
Ethane SCHEMBL7588368 0.87 P2RX7 (0.46) P2RX7NR1H2NR1H3TSHRCNR1
Ethane SCHEMBL7590902 0.85 ALDH1A1 (0.40) P2RX7NR1H2NR1H3TSHRCNR1
SCHEMBL27553152 0.79 P2RX7 (0.44) P2RX7NR1H2NR1H3TSHRNPSR1
SCHEMBL18913873 0.76 P2RX7 (0.51) P2RX7NR1H2NR1H3TSHRNPSR1
SCHEMBL18913827 0.76 P2RX7 (0.51) P2RX7NR1H2NR1H3TSHRNPSR1
SCHEMBL27529415 0.75 P2RX7 (0.49) P2RX7NR1H2NR1H3TSHRALDH1A1
SCHEMBL7590018 0.72 DRD2 (0.41) P2RX7ALDH1A1LMNAHTTUSP2
SCHEMBL7583716 0.72 P2RX7 (0.47) P2RX7NR1H2NR1H3TSHRNPSR1
SCHEMBL7585196 0.71 ALDH1A1 (0.48) TSHRNPSR1ALDH1A1LMNAHTT
SCHEMBL7583792 0.70 DRD2 (0.41) P2RX7ALDH1A1LMNAHTTUSP2

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
CN-1114596-C Biphenyl derivatives EISAI CO LTD (JP) 2003-07-16 CN claimed
EP-0675118-B1 Biphenylderivatives, process for their preparation and their use as medicaments EISAI CO LTD (JP) 2002-10-09 EP claimed
CN-1114596-C Biphenyl derivatives EISAI CO LTD (JP) 2003-07-16 CN disclosed
CN-1412661-A Chinese character name code keyboard input method LU YUSHAN (CN) 2003-04-23 CN disclosed
CN-1290700-A Phenyl piperazine derivatives EISAI LTD (JP) 2001-04-11 CN disclosed