SCHEMBL1663196

SCHEMBL1663196

CC(C)(C)OC(=O)N1CCN([C@H]2CC[C@@H](O)CC2)C(=O)C1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.49
CHRM1 P11229 1/20 0.49
CHRM3 P20309 1/20 0.49
TP53 P04637 1/20 0.42
MAPT P10636 2/20 0.42
KDM4E B2RXH2 1/20 0.42
THRB P10828 1/20 0.42
DDB1 Q16531 2/20 0.42
CRBN Q96SW2 2/20 0.42
NR1H2 P55055 1/20 0.39
HPGD P15428 1/20 0.39
PREP P48147 1/20 0.39
ALDH1A1 P00352 2/20 0.38
USP2 O75604 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
GPR119 Q8TDV5 1/20 0.38
ESR2 Q92731 1/20 0.38
NPC1 O15118 1/20 0.38
MAPK1 P28482 1/20 0.38
HTT P42858 1/20 0.38

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
SCHEMBL1583349 1.00 CHRM2 (0.49) CHRM2CHRM1CHRM3TP53MAPT
SCHEMBL1583351 1.00 CHRM2 (0.49) CHRM2CHRM1CHRM3TP53MAPT
SCHEMBL5619854 0.94 CHRM2 (0.46) CHRM2CHRM1CHRM3TP53MAPT
SCHEMBL2322107 0.93 CHRM2 (0.51) CHRM2CHRM1CHRM3TP53MAPT
SCHEMBL1664180 0.93 CHRM2 (0.51) CHRM2CHRM1CHRM3TP53MAPT
SCHEMBL1583858 0.89 TP53 (0.44) CHRM2CHRM1CHRM3TP53MAPT
SCHEMBL3069589 0.88 EPHX1 (0.47) CHRM2CHRM1CHRM3TP53MAPT
SCHEMBL2949901 0.87 HSD17B10 (0.46) CHRM2CHRM1CHRM3TP53MAPT
SCHEMBL2949898 0.87 HSD17B10 (0.46) CHRM2CHRM1CHRM3TP53MAPT
SCHEMBL3451214 0.86 DDB1 (0.44) CHRM2CHRM1CHRM3TP53MAPT

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
WO-2011050284-A1 PYRAZOLYLPYRIDINE ANTIVIRAL AGENTS GLAXOSMITHKLINE LLC (US) 2011-04-28 WO disclosed