SCHEMBL20053573

SCHEMBL20053573

O=C(c1ccc(-c2ccc(OCC3CCN(CC4(F)CCCCC4)CC3)cc2)cc1)N1CCCC1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 9/20 0.52
HPGD P15428 4/20 0.47
ALDH1A1 P00352 3/20 0.46
KDM4E B2RXH2 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
CYP2D6 P10635 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
NPC1 O15118 1/20 0.43
MAPT P10636 1/20 0.43
RAB9A P51151 1/20 0.43
ADRB2 P07550 1/20 0.42
CHEK2 O96017 1/20 0.42
PARP15 Q460N3 1/20 0.42
PARP10 Q53GL7 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
SCHEMBL20053544 0.97 HRH3 (0.53) HRH3HPGDALDH1A1KDM4EL3MBTL1
SCHEMBL15537541 0.91 HRH3 (0.51) HRH3HPGD
SCHEMBL15537539 0.91 HRH3 (0.51) HRH3HPGD
SCHEMBL15539084 0.89 SSTR5 (0.50) PARP15PARP10
SCHEMBL15537611 0.88 HRH3 (0.52) HRH3HPGD
SCHEMBL15537609 0.88 HRH3 (0.52) HRH3HPGD
SCHEMBL15539486 0.87 HRH3 (0.52) HRH3CHEK2
SCHEMBL15539488 0.87 HRH3 (0.52) HRH3CHEK2
SCHEMBL15540459 0.86 KDM4E (0.44) HRH3KDM4EPARP15PARP10
SCHEMBL15539041 0.85 SSTR5 (0.51) PARP15PARP10

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
EP-2858986-B1 PIPERIDINE DERIVATIVES AS GPR119 AGONISTS CHONG KUN DANG PHARMACEUTICAL CORP (KR) 2019-10-30 EP disclosed
US-9944600-B2 Piperidine derivatives for GPR119 agonist CHONG KUN DANG PHARMACEUTICAL CORP. (KR) 2018-04-17 US disclosed