SCHEMBL19230232

SCHEMBL19230232

C[C@@H](O)CCN1CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
HTT P42858 2/20 0.45
ALDH1A1 P00352 2/20 0.45
CHRM2 P08172 1/20 0.45
CHRM4 P08173 1/20 0.45
CHRM1 P11229 1/20 0.45
CHRM3 P20309 1/20 0.45
NPC1 O15118 1/20 0.45
MAPT P10636 1/20 0.45
MAPK1 P28482 1/20 0.45
RAB9A P51151 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
ATM Q13315 1/20 0.43
ACKR3 P25106 1/20 0.42
ABCB1 P08183 1/20 0.42
NR1H2 P55055 1/20 0.42
HPGD P15428 1/20 0.41
TLR8 Q9NR97 1/20 0.41
EPHX2 P34913 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
SCHEMBL104620 0.90 USP2 (0.47) USP2SMN1; SMN2HTTALDH1A1CHRM2
SCHEMBL19230079 0.88 USP2 (0.45) USP2SMN1; SMN2HTTALDH1A1CHRM2
SCHEMBL1906525 0.86 USP2 (0.44) USP2SMN1; SMN2HTTALDH1A1CHRM2
SCHEMBL8242595 0.86 USP2 (0.61) USP2SMN1; SMN2HTTALDH1A1CHRM2
SCHEMBL20232006 0.85 USP2 (0.49) USP2SMN1; SMN2HTTALDH1A1CHRM2
SCHEMBL16825817 0.85 USP2 (0.49) USP2SMN1; SMN2HTTALDH1A1CHRM2
SCHEMBL22060030 0.84 USP2 (0.45) USP2SMN1; SMN2HTTALDH1A1CHRM2
SCHEMBL13600638 0.83 USP2 (0.44) USP2SMN1; SMN2HTTALDH1A1CHRM2
SCHEMBL20873847 0.83 USP2 (0.53) USP2SMN1; SMN2CHRM2CHRM4CHRM1
SCHEMBL19230247 0.83 USP2 (0.41) USP2SMN1; SMN2HTTALDH1A1CHRM2

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-2017136769-A1 PEPTIDE DRUG CONJUGATES EISAI R&D MANAGEMENT CO., LTD. (JP) 2017-08-10 WO disclosed