SCHEMBL16136136

SCHEMBL16136136

CC(C)(C)OC(=O)N1CCC(n2c(-c3ccccc3)cc3ccccc32)CC1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 1/20 0.50
NR1H2 P55055 9/20 0.47
NR1H3 Q13133 2/20 0.47
OPRM1 P35372 1/20 0.47
OPRD1 P41143 1/20 0.47
OGFRL1 Q5TC84 1/20 0.47
KDM4E B2RXH2 1/20 0.46
PKM P14618 1/20 0.46
USP30 Q70CQ3 2/20 0.45
MMP13 P45452 2/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44

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
SCHEMBL20685539 0.78 CHRM2 (0.57) GPR119OPRM1OPRD1OGFRL1KDM4E
SCHEMBL16827989 0.78 GPR119 (0.55) GPR119KDM4EPKMUSP30MMP13
SCHEMBL30344944 0.76 KMT2A (0.53) OPRM1OPRD1KDM4EKMT2A
SCHEMBL3097660 0.76 BRD4 (0.48) GPR119OPRM1OPRD1OGFRL1USP30
SCHEMBL14367891 0.76 NR1H2 (0.75) NR1H2NR1H3
SCHEMBL3159082 0.75 GPR119 (0.52) GPR119OPRM1OPRD1OGFRL1KDM4E
SCHEMBL947135 0.75 LMNA (0.62) GPR119OPRM1OPRD1OGFRL1KDM4E
SCHEMBL16827952 0.75 GPR119 (0.52) GPR119KDM4EPKMUSP30MEN1
SCHEMBL3957088 0.75 DRD4 (0.58) GPR119
SCHEMBL6160925 0.74 HSD11B1 (0.56) GPR119OPRM1OPRD1OGFRL1KDM4E

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-2014160478-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OF CYSTIC FIBROSIS FLATLEY DISCOVERY LAB (US) 2014-10-02 WO disclosed