SCHEMBL9640940

SCHEMBL9640940

CON=C(C)C1=CCCN(C(=O)OCCCl)C1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.33
CHRM2 P08172 2/20 0.33
CHRM4 P08173 2/20 0.33
CHRM5 P08912 2/20 0.33
CHRM1 P11229 2/20 0.33
CHRM3 P20309 2/20 0.33
THRB P10828 1/20 0.33
BLM P54132 2/20 0.33
MCOLN3 Q8TDD5 1/20 0.33
CYP1A2 P05177 2/20 0.32
CYP2D6 P10635 2/20 0.32
NFKB1 P19838 1/20 0.32
THPO P40225 1/20 0.32
PMP22 Q01453 2/20 0.31
CHRNB2 P17787 1/20 0.31
CHRNA4 P43681 1/20 0.31
HRH3 Q9Y5N1 1/20 0.30
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
TP53 P04637 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
SCHEMBL10657072 0.80 LMNA (0.35) LMNACHRM2CHRM4CHRM5CHRM1
SCHEMBL6664071 0.73 PTPN1 (0.35) LMNACHRM2CHRM4CHRM5CHRM1
SCHEMBL12043327 0.70 CHRM2 (0.56) LMNACHRM2CHRM4CHRM5CHRM1
SCHEMBL9594622 0.70 CHRM2 (0.56) LMNACHRM2CHRM4CHRM5CHRM1
SCHEMBL9594847 0.70 CHRM2 (0.37) LMNACHRM2CHRM4CHRM5CHRM1
SCHEMBL9594965 0.68 LMNA (0.44) LMNACHRM2CHRM4CHRM5CHRM1
SCHEMBL2420231 0.68 CHRM3 (0.58) LMNACHRM2CHRM4CHRM5CHRM1
SCHEMBL9594492 0.66 SIGMAR1 (0.41) LMNABLMCYP1A2CYP2D6PMP22
SCHEMBL9384325 0.65 LMNA (0.39) LMNACHRM2CHRM4CHRM5CHRM1
SCHEMBL9594515 0.63 CHRM2 (0.50) CHRM2CHRM5CHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0288394-B1 1,2,5,6-TETRAHYDROPYRIDINES, PROCESS FOR THEIR PREPARATION, THEIR USE AS MEDICINES AND COMPOSITIONS CONTAINING THEM ROUSSEL-UCLAF (FR) 1992-09-09 EP disclosed