SCHEMBL3656302

SCHEMBL3656302

COC(=O)CC1CC2(CCN(C(=O)O)CC2)c2ccccc2C1=O

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 6/20 0.42
HSD11B2 P80365 3/20 0.42
HRH3 Q9Y5N1 1/20 0.37
MEN1 O00255 1/20 0.36
MAPT P10636 1/20 0.36
KMT2A Q03164 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
ALDH1A1 P00352 1/20 0.35
NPY5R Q15761 1/20 0.35
OPRM1 P35372 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
OPRL1 P41146 2/20 0.35
NR1H2 P55055 1/20 0.34

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
SCHEMBL2176120 0.87 HDAC1 (0.44)
SCHEMBL1223765 0.85 HSD11B1 (0.56) HSD11B1HSD11B2
SCHEMBL3709779 0.84 OPRD1 (0.39) HSD11B1HSD11B2MEN1MAPTKMT2A
SCHEMBL12408216 0.78 KDM1A (0.37) MEN1MAPTKMT2ANPSR1
SCHEMBL2175333 0.78 HSD11B1 (0.44) HSD11B1HSD11B2
SCHEMBL1223056 0.72 HSD11B1 (0.56) HSD11B1HSD11B2SIGMAR1
SCHEMBL2802804 0.70 HRH3 (0.55) HRH3TDP1ALDH1A1NPY5ROPRM1
SCHEMBL1223122 0.70 HSD11B1 (0.53) HSD11B1HSD11B2HRH3MEN1KMT2A
SCHEMBL1222605 0.69 HSD11B1 (0.80) HSD11B1HSD11B2
SCHEMBL1223443 0.69 HSD11B1 (0.59) HSD11B1HSD11B2

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-2207549-A1 MODULATORS OF MUSCARINIC RECEPTORS Vertex Pharmceuticals Incorporated (US) 2010-07-21 EP disclosed
WO-2009045519-A1 MODULATORS OF MUSCARINIC RECEPTORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-04-09 WO disclosed