SCHEMBL8744908

SCHEMBL8744908

CCCC(C)CN([C]=O)C(=O)NCCC(C)CC

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.35
CHRNB4 P30926 1/20 0.35
CHRNA4 P43681 1/20 0.35
HRH4 Q9H3N8 1/20 0.30
HRH3 Q9Y5N1 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
SCHEMBL7203744 0.81 EPHX1 (0.41)
SCHEMBL15904202 0.67
SCHEMBL6722031 0.66 CYP2D6 (0.44) CHRNB2CHRNB4CHRNA4HRH4HRH3
SCHEMBL8435124 0.66 KDM4E (0.46) CHRNB2CHRNB4CHRNA4HRH4HRH3
SCHEMBL6722028 0.66 HRH4 (0.40) CHRNB2CHRNB4CHRNA4HRH4HRH3
SCHEMBL12059632 0.65 CASP2 (0.52)
SCHEMBL21660387 0.64 PAOX (0.45) CHRNB2CHRNB4CHRNA4
SCHEMBL20810611 0.64 USP2 (0.46) CHRNB2CHRNB4CHRNA4HRH4HRH3
SCHEMBL8435121 0.64 USP2 (0.37) CHRNB2CHRNB4CHRNA4HRH4HRH3
SCHEMBL19624271 0.64 PAOX (0.45) CHRNB2CHRNB4CHRNA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0628026-B1 CYANO-OXIME ETHERS, PROCESS FOR PRODUCING THEM, AGENTS CONTAINING THEM AND THEIR USE BASF AG (DE) 1997-01-22 EP disclosed
EP-0628026-A1 CYANO-OXIME ETHERS, PROCESS FOR PRODUCING THEM, AGENTS CONTAINING THEM AND THEIR USE. BASF AG (DE) 1994-12-14 EP disclosed
WO-1993016985-A1 CYANO-OXIME ETHERS, PROCESS FOR PRODUCING THEM, AGENTS CONTAINING THEM AND THEIR USE BASF AKTIENGESELLSCHAFT (DE) 1993-09-02 WO disclosed