SCHEMBL28028621

SCHEMBL28028621

CC(C)(C)OC(=O)N1CCC(C(=O)O)(c2ccc(C(C)(C)C)cc2)CC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.56
ALOX15 P16050 1/20 0.56
ATM Q13315 1/20 0.56
TET3 O43151 4/20 0.46
KMT2A Q03164 4/20 0.46
FBXL19 Q6PCT2 4/20 0.46
CXXC5 Q7LFL8 4/20 0.46
KDM2B Q8NHM5 4/20 0.46
CXXC4 Q9H2H0 4/20 0.46
KDM2A Q9Y2K7 4/20 0.46
TET1 Q8NFU7 3/20 0.46
RORC P51449 3/20 0.45
TACR1 P25103 1/20 0.44
NPC1L1 Q9UHC9 1/20 0.44
RAB9A P51151 2/20 0.44
NPC1 O15118 1/20 0.44
MAPT P10636 1/20 0.44
HTT P42858 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
GPR119 Q8TDV5 1/20 0.42

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
SCHEMBL972474 0.88 TSHR (0.65) TSHRALOX15ATMTET3KMT2A
SCHEMBL12988312 0.87 TSHR (0.53) TSHRALOX15ATMTET3KMT2A
SCHEMBL654813 0.87 KMT2A (0.59) TSHRALOX15ATMTET3KMT2A
SCHEMBL396197 0.87 TSHR (0.53) TSHRALOX15ATMTET3KMT2A
SCHEMBL28953849 0.86 TET3 (0.64) TSHRALOX15ATMTET3KMT2A
SCHEMBL8352820 0.84 TSHR (0.53) TSHRALOX15ATMTET3KMT2A
SCHEMBL348394 0.84 TSHR (0.50) TSHRALOX15ATMTET3KMT2A
SCHEMBL12497627 0.81 TSHR (0.47) TSHRALOX15ATMTET3KMT2A
SCHEMBL29087370 0.81 TSHR (0.47) TSHRALOX15ATMTET3KMT2A
SCHEMBL8353122 0.80 TSHR (0.52) TSHRALOX15ATMTET3KMT2A

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
CN-104876934-B A kind of nitrogen heterocyclic ring phenylpiperidine compound and preparation method and application 山东大学 2017-08-11 CN disclosed
CN-104876934-A Nitrogen-containing heterocyclic phenyl piperidine compound as well as preparation method and application thereof UNIV SHANDONG 2015-09-02 CN disclosed