SCHEMBL6987412

SCHEMBL6987412

CC(C)(C)C1Cc2ccccc2N(CC(=O)N2CCCC2)C(=O)C1OC(N)=O

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 5/20 0.48
CHRM4 P08173 5/20 0.48
CHRM1 P11229 5/20 0.48
CHRM3 P20309 4/20 0.48
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
POLB P06746 1/20 0.44
CCKBR P32239 6/20 0.43
ALDH1A1 P00352 2/20 0.42
RAB9A P51151 1/20 0.42
KDM4E B2RXH2 1/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
ALOX15 P16050 1/20 0.40
TSHR P16473 1/20 0.40
CASP1 P29466 1/20 0.40
CASP7 P55210 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
GFER P55789 1/20 0.40

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
SCHEMBL4075040 0.77 CHRM2 (0.54) CHRM2CHRM4CHRM1CHRM3MEN1
SCHEMBL4075043 0.77 CHRM2 (0.56) CHRM2CHRM4CHRM1CHRM3MEN1
SCHEMBL4075144 0.75 CHRM2 (0.51) CHRM2CHRM4CHRM1CHRM3MEN1
SCHEMBL4075145 0.75 CHRM2 (0.53) CHRM2CHRM4CHRM1CHRM3MEN1
SCHEMBL7088452 0.71 CHRM2 (0.58) CHRM2CHRM4CHRM1CHRM3MEN1
SCHEMBL7084907 0.71 CCKBR (0.63) CCKBR
SCHEMBL4066622 0.70 CHRM2 (0.46) CHRM2CHRM4CHRM1CHRM3MEN1
SCHEMBL4066758 0.70 PYGL (0.50) CHRM2CHRM4CHRM1CHRM3MEN1
SCHEMBL7468864 0.70 ALDH1A1 (0.58) CHRM2CHRM4CHRM1CHRM3MEN1
SCHEMBL4066762 0.70 PYGL (0.54) CHRM2CHRM4CHRM1CHRM3MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1294716-A1 LACTAM INHIBITORS OF FACTOR XA AND METHOD Bristol-Myers Squibb Company (US) 2003-03-26 EP disclosed
WO-2001096331-A1 LACTAM INHIBITORS OF FACTOR XA AND METHOD BRISTOL-MYERS SQUIBB COMPANY (US) 2001-12-20 WO disclosed