SCHEMBL20053739

SCHEMBL20053739

CC(C)(F)CN1CCC(COc2ccc(-c3ccc(C(=O)N4CCCC4)cc3)c(F)c2)CC1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 3/20 0.45
HRH3 Q9Y5N1 6/20 0.45
GPR119 Q8TDV5 1/20 0.41
HPGD P15428 2/20 0.41
KDM4E B2RXH2 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
KDM1A O60341 2/20 0.41
SSTR5 P35346 1/20 0.41
KCNH2 Q12809 1/20 0.41

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
SCHEMBL20053580 0.94 HRH3 (0.44) ADRB2HRH3HPGDKDM4EL3MBTL1
SCHEMBL15538985 0.92 GRM3 (0.43) ADRB2HRH3
SCHEMBL15538084 0.92 GRM3 (0.43) ADRB2HRH3
SCHEMBL15538085 0.92 GRM3 (0.43) ADRB2HRH3
SCHEMBL16803844 0.91 GAA (0.44) HRH3L3MBTL1SSTR5KCNH2
SCHEMBL15539087 0.90 HRH3 (0.44) HRH3GPR119KDM1ASSTR5KCNH2
SCHEMBL15539108 0.90 HRH3 (0.44) HRH3GPR119KDM1ASSTR5KCNH2
SCHEMBL15539107 0.90 HRH3 (0.44) HRH3GPR119KDM1ASSTR5KCNH2
SCHEMBL16803890 0.90 GLA (0.43) HPGD
SCHEMBL20053732 0.90 PARP10 (0.45) HRH3GPR119KCNH2

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