SCHEMBL14038357

SCHEMBL14038357

CC(C)(C)OC(=O)N1CCC(N2CCCOc3c(I)ncnc32)CC1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 1/20 0.41
▸ GPR119 Q8TDV5 8/20 0.40
▸ HCAR1 Q9BXC0 1/20 0.39
▸ RECQL P46063 1/20 0.38
▸ SRC P12931 3/20 0.38
▸ EGFR P00533 1/20 0.38
▸ HPGD P15428 1/20 0.37
▸ FAAH O00519 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37

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
SCHEMBL1450235 0.88 GPR119 (0.43) TP53GPR119HCAR1RECQLSRC
SCHEMBL14038347 0.86 GPR119 (0.38) GPR119FAAH
SCHEMBL1450149 0.82 GPR119 (0.44) TP53GPR119HCAR1RECQLSRC
SCHEMBL10269111 0.81 GPR119 (0.46) GPR119
SCHEMBL4572397 0.80 CYP3A4 (0.42) TP53GPR119CYP3A4
SCHEMBL12546186 0.80 GPR119 (0.53) GPR119
SCHEMBL11913111 0.80 CYP3A4 (0.37) TP53GPR119CYP3A4
SCHEMBL11913109 0.78 CYP2C9 (0.41) GPR119CYP3A4
SCHEMBL11913107 0.78 GPR119 (0.46) GPR119SRCEGFRCYP3A4
SCHEMBL14038352 0.78 RECQL (0.40) TP53GPR119RECQLHPGDFAAH

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-2008137435-A1 [6,6] AND [6,7]-BICYCLIC GPR119 G PROTEIN-COUPLED RECEPTOR AGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2008-11-13 — — WO disclosed
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