Ethyne

Ethyne

SCHEMBL8587147

C#C.CCCCOC(N)=O

nearest known ligand 0.56

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.56
ATM Q13315 1/20 0.52
RAB9A P51151 2/20 0.52
MAPT P10636 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
ALOX15 P16050 1/20 0.50
TSHR P16473 6/20 0.48
HPGD P15428 1/20 0.48
LMNA P02545 5/20 0.46
CYP2C19 P33261 3/20 0.46
CHRM2 P08172 2/20 0.46
CHRM4 P08173 2/20 0.46
CHRM5 P08912 2/20 0.46
CHRM1 P11229 2/20 0.46
CHRM3 P20309 2/20 0.46
HTR1A P08908 1/20 0.46
CHRNB2 P17787 1/20 0.46
CHRNA7 P36544 1/20 0.46
CHRNA4 P43681 1/20 0.46
HCAR2 Q8TDS4 1/20 0.45

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
SCHEMBL42522 0.95
Phosphine SCHEMBL28287744 0.93
Ethane SCHEMBL28008042 0.93 ALDH1A1 (0.58) ALDH1A1ATMRAB9AMAPTNPSR1
Urea SCHEMBL27867524 0.93 ALDH1A1 (0.58) ALDH1A1ATMRAB9AMAPTNPSR1
SCHEMBL9562066 0.93 ALDH1A1 (0.58) ALDH1A1ATMRAB9AMAPTNPSR1
Ammonia Solution, Strong SCHEMBL27843243 0.93
Hydrochloric Acid SCHEMBL10429397 0.93
Bicarbonate SCHEMBL7632521 0.91 ALDH1A1 (0.56) ALDH1A1ATMRAB9AMAPTNPSR1
Formaldehyde SCHEMBL27582133 0.91 ALDH1A1 (0.56) ALDH1A1ATMRAB9AMAPTNPSR1
Propyne SCHEMBL8431339 0.89 ALDH1A1 (0.50) ALDH1A1ATMRAB9AMAPTNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0474561-B1 Arylalkylamines, process for their preparation and pharmaceutical compositions containing them SANOFI SA (FR) 1998-12-09 EP disclosed
EP-0515240-B1 N-(aminoalkyl)piperidine compounds and their enantiomers as neurokinines receptors antagonists, processes for their preparation and pharmaceutical compositions containing them SANOFI SA (FR) 1997-09-24 EP disclosed
WO-1993018002-A1 QUATERNARY SALTS OF 4-SUBSTITUTED PIPERIDINES, PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME ELF SANOFI (FR) 1993-09-16 WO disclosed
EP-0559538-A1 Quaternary salts of 4-substituted piperidines, their preparation and pharmaceutical compositions containing them SANOFI (FR) 1993-09-08 EP disclosed
EP-0375560-B1 ARYLOXYPROPANOLAMINOTETRALINES, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME ELF SANOFI (FR) 1993-05-12 EP disclosed
EP-0515240-A1 N-alkylidene piperidine compounds and their enatiomers, process for their preparation and pharmaceutical compositions containing them SANOFI (FR) 1992-11-25 EP disclosed
EP-0512902-A1 Dialkyleneperidino compounds and their enantiomers, process for their preparation and pharmaceutical compositions containing them SANOFI (FR) 1992-11-11 EP disclosed
EP-0474561-A1 Arylalkylamines, process for their preparation and pharmaceutical compositions containing them SANOFI (FR) 1992-03-11 EP disclosed
EP-0428434-A2 Compounds of aromatic amines and their enantiomers, process for their preparation and pharmaceutical compositions containing them SANOFI (FR) 1991-05-22 EP disclosed
EP-0375560-A1 Aryloxypropanolaminotetralines, process for their preparation and pharmaceutical compositions containing same ELF SANOFI (FR) 1990-06-27 EP disclosed