SCHEMBL28147263

SCHEMBL28147263

CC(C)(C)OC(=O)N1CCNCC1.O=C(Cl)N1CCNCC1

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
NR1H2 P55055 1/20 0.44
MAPK1 P28482 1/20 0.43
HPGD P15428 1/20 0.43
EPHX2 P34913 1/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
RECQL P46063 1/20 0.41
EPHX1 P07099 1/20 0.41
KDM4E B2RXH2 1/20 0.40
MAPT P10636 1/20 0.40
THRB P10828 1/20 0.40
POLB P06746 1/20 0.39
GPR119 Q8TDV5 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
SCHEMBL8286 0.91 USP2 (0.58) USP2SMN1; SMN2NR1H2MAPK1HPGD
SCHEMBL587550 0.91 USP2 (0.58) USP2SMN1; SMN2NR1H2MAPK1HPGD
SCHEMBL1225127 0.91 USP2 (0.58) USP2SMN1; SMN2NR1H2MAPK1HPGD
SCHEMBL12005408 0.91 USP2 (0.58) USP2SMN1; SMN2NR1H2MAPK1HPGD
Hydrochloric Acid SCHEMBL4141237 0.89 USP2 (0.56) USP2SMN1; SMN2NR1H2MAPK1HPGD
SCHEMBL14653343 0.89 USP2 (0.56) USP2SMN1; SMN2NR1H2MAPK1HPGD
Hydrochloric Acid SCHEMBL1904026 0.89 USP2 (0.56) USP2SMN1; SMN2NR1H2MAPK1HPGD
SCHEMBL2220355 0.89 USP2 (0.56) USP2SMN1; SMN2NR1H2MAPK1HPGD
Ammonia Solution, Strong SCHEMBL18035416 0.89 USP2 (0.56) USP2SMN1; SMN2NR1H2MAPK1HPGD
SCHEMBL132585 0.89 USP2 (0.56) USP2SMN1; SMN2NR1H2MAPK1HPGD

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
CN-106794364-A Substituted 4-phenylpiperidines, their preparation and use 哥伦比亚大学董事会 2017-05-31 CN disclosed