Ethane

Ethane

SCHEMBL7584566

CC.CCN1CCNCC1c1ccc(S(=O)(=O)c2cc3cc-3c2OC)cc1

nearest known ligand 0.38

Full drug profile on Sugi Atlas →

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 4/20 0.38
HTR2C P28335 4/20 0.38
HTR2B P41595 4/20 0.38
DRD2 P14416 7/20 0.36
DRD3 P35462 7/20 0.36
CHRM2 P08172 1/20 0.33
CHRM1 P11229 1/20 0.33
CHRM3 P20309 1/20 0.33
HTR6 P50406 2/20 0.33
MMP1 P03956 1/20 0.33
MMP3 P08254 1/20 0.33
MMP7 P09237 1/20 0.33
MMP9 P14780 1/20 0.33
MMP13 P45452 1/20 0.33
RIPK2 O43353 1/20 0.32
NOD2 Q9HC29 1/20 0.32

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 SCHEMBL7583766 0.87 HTR6 (0.33) HTR2AHTR2CHTR2BDRD2DRD3
Ethane SCHEMBL7584987 0.86 HTR2A (0.34) HTR2AHTR2CHTR2BDRD2DRD3
Ethane SCHEMBL7582048 0.81 HTR2A (0.33) HTR2AHTR2CHTR2B
Methane SCHEMBL7585776 0.79 HTR2A (0.33) HTR2AHTR2CHTR2B
SCHEMBL7583638 0.77 DRD2 (0.44) DRD2DRD3
SCHEMBL7586087 0.77 DRD2 (0.39) HTR2AHTR2CHTR2BDRD2DRD3
SCHEMBL7582099 0.77 OPRD1 (0.36) HTR2AHTR2CHTR2B
SCHEMBL7582903 0.76 DRD2 (0.43) HTR2AHTR2CHTR2BDRD2DRD3
SCHEMBL7587283 0.75 DRD2 (0.42) DRD2DRD3HTR6NOD2
SCHEMBL7588002 0.73 HTR2C (0.40) HTR2AHTR2CHTR2BDRD2DRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0675118-B1 Biphenylderivatives, process for their preparation and their use as medicaments EISAI CO LTD (JP) 2002-10-09 EP claimed
EP-0675118-A2 Biphenylderivatives, process for their preparation and their use as medicaments Eisai Co., Ltd. (JP) 1995-10-04 EP claimed
EP-0675118-B1 Biphenylderivatives, process for their preparation and their use as medicaments EISAI CO LTD (JP) 2002-10-09 EP disclosed
US-6281214-B1 USEFUL FOR TREATING AND AMELIORATING MENTAL DISORDERS EISAI CO., LTD (JP) 2001-08-28 US disclosed
US-5849912-A Biphenyl derivatives EISAI CO., LTD. (JP) 1998-12-15 US disclosed
EP-0675118-A2 Biphenylderivatives, process for their preparation and their use as medicaments Eisai Co., Ltd. (JP) 1995-10-04 EP disclosed