SCHEMBL20053731

SCHEMBL20053731

CCC(F)(CC)CN1CCC(COc2ccc(-c3ccc(C(=O)N4CCCC4)cc3)nn2)CC1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 1/20 0.41
HRH3 Q9Y5N1 6/20 0.40
BCHE P06276 2/20 0.39
ACHE P22303 2/20 0.39
HPGD P15428 4/20 0.38
KDM4E B2RXH2 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
ALDH1A1 P00352 3/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HPGDS O60760 2/20 0.37
NPC1 O15118 1/20 0.37
PKM P14618 1/20 0.37
RAB9A P51151 1/20 0.37
ADRB2 P07550 2/20 0.36
NR3C1 P04150 1/20 0.36
CYP2D6 P10635 1/20 0.36

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
SCHEMBL20053741 0.91 GPR119 (0.44) GPR119HRH3BCHEACHEHPGD
SCHEMBL15539249 0.89 ACHE (0.43) GPR119BCHEACHESMN1; SMN2HPGDS
SCHEMBL21534807 0.88 GPR119 (0.43) GPR119HRH3HPGDKDM4EL3MBTL1
SCHEMBL15539245 0.88 HPGDS (0.41) GPR119BCHEACHEKDM4EHPGDS
SCHEMBL21534617 0.88 BCHE (0.36) GPR119HRH3BCHEACHEL3MBTL1
SCHEMBL20053648 0.87 CYP2D6 (0.44) GPR119HRH3ACHEHPGDALDH1A1
SCHEMBL15538711 0.86 SPHK1 (0.42) BCHEACHEL3MBTL1ALDH1A1
SCHEMBL15538815 0.86 SPHK1 (0.42) BCHEACHEL3MBTL1ALDH1A1
SCHEMBL20053540 0.86 GPR119 (0.56) GPR119HRH3HPGDKDM4EL3MBTL1
SCHEMBL15538353 0.83 GRM3 (0.40) GPR119HRH3BCHEACHEKMT2A

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
US-9944600-B2 Piperidine derivatives for GPR119 agonist CHONG KUN DANG PHARMACEUTICAL CORP. (KR) 2018-04-17 US disclosed