SCHEMBL7209206

SCHEMBL7209206

COc1ccccc1CN1CCC1=O

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ACHE P22303 4/20 0.60
KMT2A Q03164 2/20 0.51
USP2 O75604 1/20 0.51
HSD17B10 Q99714 1/20 0.51
MEN1 O00255 1/20 0.51
RAB9A P51151 1/20 0.51
GNAI3 P08754 1/20 0.49
CHRM2 P08172 1/20 0.49
CHRM4 P08173 1/20 0.49
CHRM5 P08912 1/20 0.49
CHRM1 P11229 1/20 0.49
CHRM3 P20309 1/20 0.49
SIGMAR1 Q99720 1/20 0.49
KCNH2 Q12809 1/20 0.47

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
SCHEMBL7484195 0.91 ACHE (0.68) ACHEKMT2AMEN1RAB9A
SCHEMBL10640944 0.80 KDM4E (0.53) KMT2AMEN1
SCHEMBL4002090 0.78 MEN1 (0.66) ACHEKMT2AUSP2HSD17B10MEN1
SCHEMBL6404984 0.77 MEN1 (0.62) KMT2AUSP2MEN1GNAI3CHRM2
SCHEMBL5536939 0.77 MEN1 (0.48) ACHEKMT2AUSP2HSD17B10MEN1
SCHEMBL9830457 0.75 TACR1 (0.56) ACHEKMT2AUSP2MEN1GNAI3
SCHEMBL12939972 0.75 KDM4E (0.51) ACHEKMT2AUSP2HSD17B10MEN1
SCHEMBL8565231 0.75 MEN1 (0.52) ACHEKMT2AUSP2HSD17B10MEN1
SCHEMBL8565227 0.75 MEN1 (0.52) ACHEKMT2AUSP2HSD17B10MEN1
SCHEMBL3422052 0.74 USP2 (0.58) KMT2AUSP2HSD17B10MEN1SIGMAR1

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-1251846-A4 C-4 CARBONATE TAXANES BRISTOL MYERS SQUIBB CO (US) 2003-03-12 EP disclosed
EP-1251846-A1 C-4 CARBONATE TAXANES BRISTOL-MYERS SQUIBB COMPANY (US) 2002-10-30 EP disclosed
WO-2001056565-A1 C-4 CARBONATE TAXANES BRISTOL-MYERS SQUIBB COMPANY (US) 2001-08-09 WO disclosed