SCHEMBL20053580

SCHEMBL20053580

CC(C)(F)CN1CCC(COc2ccc(-c3ccc(C(=O)N4CCCCC4)cc3F)cc2)CC1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 7/20 0.44
KDM1A O60341 2/20 0.44
KCNH2 Q12809 2/20 0.43
HPGD P15428 3/20 0.42
SSTR5 P35346 1/20 0.42
ADRB2 P07550 2/20 0.41
ALDH1A1 P00352 1/20 0.41
KDM4E B2RXH2 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
RBP4 P02753 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
SCHEMBL20053739 0.94 ADRB2 (0.45) HRH3KDM1AKCNH2HPGDSSTR5
SCHEMBL15538608 0.91 GRM3 (0.43) HRH3KDM1AKCNH2SSTR5ALDH1A1
SCHEMBL15538606 0.91 GRM3 (0.43) HRH3KDM1AKCNH2SSTR5ALDH1A1
SCHEMBL20053605 0.90 HRH3 (0.44) HRH3KDM1AKCNH2HPGDSSTR5
SCHEMBL15538721 0.89 HRH3 (0.55) HRH3HPGDADRB2ALDH1A1KDM4E
SCHEMBL15539248 0.88 SSTR5 (0.51) KCNH2SSTR5RBP4
SCHEMBL15537715 0.88 HRH3 (0.56) HRH3HPGDALDH1A1KDM4EL3MBTL1
SCHEMBL20053594 0.87 GPR119 (0.46) HRH3ADRB2RBP4
SCHEMBL15539452 0.86 SSTR5 (0.43) KCNH2SSTR5
SCHEMBL20053601 0.86 KDM1A (0.44) HRH3KDM1AKCNH2

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