SCHEMBL2299142

SCHEMBL2299142

CC(C)(C)OC(=O)N1CC(CO)CC(CO)C1

nearest known ligand 0.76

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.76
NAMPT P43490 1/20 0.47
USP2 O75604 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CHRM2 P08172 1/20 0.41
CHRM1 P11229 1/20 0.41
CHRM3 P20309 1/20 0.41
HPGD P15428 1/20 0.41
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
KMT2A Q03164 1/20 0.40
EPHX2 P34913 1/20 0.40
KDM4E B2RXH2 2/20 0.39
RECQL P46063 1/20 0.39
EPHX1 P07099 1/20 0.39
PKM P14618 1/20 0.38
DDB1 Q16531 1/20 0.38
CRBN Q96SW2 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
SCHEMBL14256080 0.94 NR1H2 (0.68) NR1H2NAMPTUSP2SMN1; SMN2CHRM2
SCHEMBL72498 0.93 NR1H2 (0.75) NR1H2NAMPTUSP2SMN1; SMN2CHRM2
SCHEMBL16633724 0.90 NR1H2 (0.68) NR1H2NAMPTUSP2SMN1; SMN2CHRM2
SCHEMBL16633725 0.90 NR1H2 (0.68) NR1H2NAMPTUSP2SMN1; SMN2CHRM2
SCHEMBL2897311 0.90 NR1H2 (0.68) NR1H2NAMPTUSP2SMN1; SMN2CHRM2
SCHEMBL4559486 0.90 NR1H2 (0.68) NR1H2NAMPTUSP2SMN1; SMN2CHRM2
SCHEMBL4245398 0.90 NR1H2 (0.68) NR1H2NAMPTUSP2SMN1; SMN2CHRM2
SCHEMBL12527166 0.89 NR1H2 (0.66) NR1H2NAMPTUSP2SMN1; SMN2CHRM2
SCHEMBL27159056 0.88 NR1H2 (0.64) NR1H2NAMPTUSP2SMN1; SMN2CHRM2
SCHEMBL23406722 0.86 NR1H2 (1.00) NR1H2NAMPTUSP2SMN1; SMN2CHRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011103127-A1 TREATMENT OF METABOLIC SYNDROME WITH PIPERIDINE AMIDES AMPLA PHARMACEUTICALS INC. (US) 2011-08-25 WO disclosed
WO-2011103127-A1 TREATMENT OF METABOLIC SYNDROME WITH PIPERIDINE AMIDES AMPLA PHARMACEUTICALS INC. (US) 2011-08-25 WO disclosed
US-7338965-B2 3,4-disubstituted, 3,5-disubstituted and 3,4,5-substituted piperidines PHARMACIA & UPJOHN COMPANY (US) 2008-03-04 US disclosed
US-7338965-B2 3,4-disubstituted, 3,5-disubstituted and 3,4,5-substituted piperidines PHARMACIA & UPJOHN COMPANY (US) 2008-03-04 US disclosed