SCHEMBL20053577

SCHEMBL20053577

CC(C)(F)CN1CCC(COc2cnc(-c3ccc(C(=O)N4CCCCC4)cc3)cn2)CC1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 2/20 0.45
HPGD P15428 5/20 0.41
HRH3 Q9Y5N1 4/20 0.41
CYP2D6 P10635 2/20 0.40
KCNH2 Q12809 2/20 0.39
ADRB2 P07550 1/20 0.39
MLYCD O95822 1/20 0.38
LIPE Q05469 1/20 0.38
MEN1 O00255 1/20 0.38
TSHR P16473 1/20 0.38
KMT2A Q03164 1/20 0.38
HDAC4 P56524 1/20 0.38

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
SCHEMBL15538886 0.91 SCN9A (0.41) GPR119HRH3HDAC4
SCHEMBL15540140 0.91 SCN9A (0.41) GPR119HRH3HDAC4
SCHEMBL15538890 0.91 SCN9A (0.41) GPR119HRH3HDAC4
SCHEMBL21534807 0.90 GPR119 (0.43) GPR119HPGDHRH3CYP2D6KCNH2
SCHEMBL15539576 0.89 HDAC4 (0.43) GPR119HRH3KCNH2LIPEHDAC4
SCHEMBL15539579 0.89 HDAC4 (0.43) GPR119HRH3KCNH2LIPEHDAC4
SCHEMBL21534684 0.88 GPR119 (0.39) GPR119LIPE
SCHEMBL15539552 0.88 HPGDS (0.42) GPR119KCNH2LIPE
SCHEMBL21534646 0.88 GPR119 (0.59) GPR119HPGDHRH3CYP2D6ADRB2
SCHEMBL20053536 0.87 GPR119 (0.40) GPR119HPGDHRH3CYP2D6KCNH2

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