SCHEMBL18249558

SCHEMBL18249558

CC(C)(C)OC(=O)N1CC(C(O)c2c(F)cccc2F)C1.O=C(O)N1CC(C(F)c2c(F)cccc2F)C1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 5/20 0.41
RORC P51449 1/20 0.39
NAMPT P43490 1/20 0.38
USP30 Q70CQ3 3/20 0.37
IDO1 P14902 1/20 0.37
MAP3K14 Q99558 2/20 0.37
SCN9A Q15858 1/20 0.36
DPP4 P27487 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
PRMT5 O14744 1/20 0.35
WDR77 Q9BQA1 1/20 0.35

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
SCHEMBL20164107 0.90 GPR119 (0.47) GPR119RORCNAMPTUSP30IDO1
SCHEMBL18249638 0.90 GPR119 (0.47) GPR119RORCNAMPTUSP30IDO1
SCHEMBL31602843 0.82 GPR119 (0.43) GPR119RORCNAMPTUSP30IDO1
SCHEMBL20164094 0.81 CES2 (0.38) KMT2A
SCHEMBL18249627 0.81 CES2 (0.41) KMT2A
SCHEMBL18249668 0.81 DPP4 (0.44) GPR119RORCNAMPTUSP30IDO1
SCHEMBL18249631 0.79 MMP13 (0.40) GPR119RORCUSP30MAP3K14DPP4
SCHEMBL18249663 0.79 DPP4 (0.45) GPR119RORCUSP30DPP4
SCHEMBL18249647 0.78 HDAC1 (0.39) GPR119RORCUSP30MAP3K14DPP4
SCHEMBL18249576 0.78 GPR119 (0.47) GPR119RORCNAMPTUSP30IDO1

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-3297987-A1 NOVEL AZETIDINE DERIVATIVES USEFUL AS MODULATORS OF CORTICAL CATHECOLAMINERGIC NEUROTRANSMISSION Integrative Research Laboratories Sweden AB (SE) 2018-03-28 EP disclosed
WO-2016185032-A1 NOVEL AZETIDINE DERIVATIVES USEFUL AS MODULATORS OF CORTICAL CATHECOLAMINERGIC NEUROTRANSMISSION INTEGRATIVE RESEARCH LABORATORIES SWEDEN AB (SE) 2016-11-24 WO disclosed