SCHEMBL7673243

SCHEMBL7673243

CC(C)CNCCC[C]=O

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADH1B P00325 1/20 0.36
ADH1C P00326 1/20 0.36
ADH1A P07327 1/20 0.36
HRH4 Q9H3N8 2/20 0.35
HRH3 Q9Y5N1 2/20 0.35
CA2 P00918 1/20 0.35
ANPEP P15144 1/20 0.32
PKM P14618 1/20 0.31
SCN1A P35498 1/20 0.31
SCN2A Q99250 1/20 0.31
SCN3A Q9NY46 1/20 0.31
CYP2C19 P33261 2/20 0.31
ALDH1A1 P00352 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2D6 P10635 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
SCHEMBL7675715 0.93 HRH4 (0.38) ADH1BADH1CADH1AHRH4HRH3
SCHEMBL7676599 0.86
SCHEMBL9624660 0.77 HRH4 (0.47) ADH1BADH1CADH1AHRH4HRH3
SCHEMBL2478778 0.77 HRH4 (0.42) ADH1BADH1CADH1AHRH4HRH3
SCHEMBL1962475 0.76 ADH1B (0.34) ADH1BADH1CADH1AHRH4HRH3
SCHEMBL24379824 0.75 HRH4 (0.48) ADH1BADH1CADH1AHRH4HRH3
SCHEMBL10045260 0.75 CYP2C19 (0.45) ADH1BADH1CADH1AHRH4HRH3
SCHEMBL5298781 0.75 HRH4 (0.48) ADH1BADH1CADH1AHRH4HRH3
SCHEMBL2483497 0.75 HRH4 (0.48) ADH1BADH1CADH1AHRH4HRH3
SCHEMBL23806775 0.74 HRH4 (0.33) HRH4HRH3CA2

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
US-6380197-B1 FOR TREATING AND PREVENTING A PLETHORA OF DISEASES INCLUDING DIABETES AVENTIS PHARMA S. A. (FR) 2002-04-30 US claimed
EP-1001943-A1 POLYHYDROXYALKYLPYRAZINE DERIVATIVES, PREPARATION AND MEDICINES CONTAINING THEM Aventis Pharma S.A. (FR) 2000-05-24 EP claimed
WO-1999003843-A1 POLYHYDROXYALKYLPYRAZINE DERIVATIVES, PREPARATION AND MEDICINES CONTAINING THEM RHONE-POULENC RORER S.A. (FR) 1999-01-28 WO claimed
US-6380197-B1 FOR TREATING AND PREVENTING A PLETHORA OF DISEASES INCLUDING DIABETES AVENTIS PHARMA S. A. (FR) 2002-04-30 US disclosed
EP-1001943-A1 POLYHYDROXYALKYLPYRAZINE DERIVATIVES, PREPARATION AND MEDICINES CONTAINING THEM Aventis Pharma S.A. (FR) 2000-05-24 EP disclosed
WO-1999003843-A1 POLYHYDROXYALKYLPYRAZINE DERIVATIVES, PREPARATION AND MEDICINES CONTAINING THEM RHONE-POULENC RORER S.A. (FR) 1999-01-28 WO disclosed