SCHEMBL7672123

SCHEMBL7672123

CC(C)NCCCC[C]=O

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 2/20 0.34
HRH3 Q9Y5N1 2/20 0.34
KDM4E B2RXH2 3/20 0.31
ALDH1A1 P00352 2/20 0.31
ADRB2 P07550 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
SCHEMBL6370652 0.93
SCHEMBL2385627 0.82
SCHEMBL2600364 0.79 HRH4 (0.43) HRH4HRH3KDM4EALDH1A1ADRB2
SCHEMBL7855413 0.78 TSHR (0.42) HRH4HRH3ALDH1A1ADRB2
SCHEMBL24230133 0.76 TSHR (0.40) HRH4HRH3ALDH1A1ADRB2
SCHEMBL754871 0.76 HRH4 (0.45) HRH4HRH3KDM4EALDH1A1ADRB2
SCHEMBL841330 0.76 HRH4 (0.45) HRH4HRH3KDM4EALDH1A1ADRB2
SCHEMBL19350614 0.76 HRH4 (0.45) HRH4HRH3KDM4EALDH1A1ADRB2
SCHEMBL4789143 0.76 HRH4 (0.45) HRH4HRH3KDM4EALDH1A1ADRB2
SCHEMBL2479475 0.76 HRH4 (0.45) HRH4HRH3KDM4EALDH1A1ADRB2

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 8 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
EP-0252482-A2 7-Acyloxy-6-aminoacyloxypolyoxylabdanes, process for their preparation and their use as medicine HOECHST AKTIENGESELLSCHAFT (DE) 1988-01-13 EP disclosed
EP-0217372-A2 Polyoxygenated labdane derivatives, process for their preparation and their use as medicaments HOECHST AKTIENGESELLSCHAFT (DE) 1987-04-08 EP disclosed