SCHEMBL30002174

SCHEMBL30002174

[2H]CCC1CCN(c2ncc(COC)cn2)CC1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 10/20 0.44
KCNH2 Q12809 3/20 0.41
CYP3A4 P08684 1/20 0.41
KIT P10721 3/20 0.35
AOC3 Q16853 1/20 0.34
SMO Q99835 2/20 0.33
KDM4E B2RXH2 2/20 0.33
PDE8B O95263 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
CHRM2 P08172 1/20 0.33
CHRM1 P11229 1/20 0.33
CHRM3 P20309 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33

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
SCHEMBL27086563 0.90 GPR119 (0.47) GPR119KCNH2CYP3A4KITAOC3
SCHEMBL24437753 0.81 GPR119 (0.51) GPR119KCNH2CYP3A4AOC3KDM4E
SCHEMBL27086530 0.81 GPR119 (0.43) GPR119KCNH2CYP3A4KITAOC3
SCHEMBL21791392 0.80 GPR119 (0.45) GPR119KCNH2CYP3A4AOC3SMO
SCHEMBL24921761 0.74 HDAC3 (0.46) GPR119KITKDM4EALDH1A1HPGD
SCHEMBL11957018 0.74 GPR119 (0.46) GPR119KDM4EPDE8BNPC1RAB9A
SCHEMBL24920518 0.73 POLB (0.49) GPR119AOC3KDM4EALDH1A1HPGD
SCHEMBL12409004 0.72 GPR119 (0.50) GPR119KITKDM4EPDE8BNPC1
SCHEMBL14314910 0.71 GPR119 (0.58) GPR119KCNH2CYP3A4
SCHEMBL19454659 0.70 NPC1 (0.51) GPR119KDM4ENPC1RAB9A

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
WO-2022216709-A1 GPR119 AGONISTS KALLYOPE, INC. (US) 2022-10-13 WO disclosed