Ethane

Ethane

SCHEMBL7582048

CC.CCN1CCNCC1c1ccc([S+]([O-])c2cc3cc-3c2OC)cc1

nearest known ligand 0.33

Full drug profile on Sugi Atlas →

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 3/20 0.33
HTR2C P28335 3/20 0.33
HTR2B P41595 3/20 0.33
ACVR1B P36896 1/20 0.30
TGFBR1 P36897 1/20 0.30
ACVR1 Q04771 1/20 0.30

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
Methane SCHEMBL7585776 0.98 HTR2A (0.33) HTR2AHTR2CHTR2BACVR1BTGFBR1
Ethane SCHEMBL7584566 0.81 HTR2A (0.38) HTR2AHTR2CHTR2B
SCHEMBL7582099 0.74 OPRD1 (0.36) HTR2AHTR2CHTR2B
SCHEMBL7958105 0.72 NR1H4 (0.34) HTR2AHTR2CHTR2B
SCHEMBL7581298 0.71 HTR7 (0.35) HTR2AHTR2CHTR2B
SCHEMBL7582143 0.71 CHRM3 (0.41) HTR2AHTR2CHTR2B
SCHEMBL7588002 0.70 HTR2C (0.40) HTR2AHTR2CHTR2B
SCHEMBL7583440 0.70 HTR2C (0.38) HTR2AHTR2CHTR2BTGFBR1ACVR1
Ethane SCHEMBL7584694 0.70 P2RX7 (0.39) HTR2B
SCHEMBL10569759 0.70 ALDH1A1 (0.43) HTR2AHTR2CHTR2B

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