SCHEMBL3706471

SCHEMBL3706471

CC(C)C1CC(N2CCCOc3c(Nc4ccc[nH]c4=O)ncnc32)CCN1C(=O)O

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ AGTR2 P50052 4/20 0.33
▸ RET P07949 1/20 0.32
▸ BTK Q06187 1/20 0.31
▸ JAK2 O60674 1/20 0.31
▸ JAK1 P23458 1/20 0.31
▸ JAK3 P52333 1/20 0.31

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
SCHEMBL1449838 0.85 BTK (0.34) RETBTKJAK2JAK1JAK3
SCHEMBL11913112 0.79 CYP3A4 (0.40) RETBTKJAK1
SCHEMBL3705463 0.73 SMYD3 (0.30) —
SCHEMBL1450060 0.70 GPR119 (0.39) RETBTK
SCHEMBL1449671 0.69 RET (0.36) RET
SCHEMBL11901108 0.68 GPR119 (0.39) RETJAK2JAK1
SCHEMBL11913108 0.68 GPR119 (0.59) —
SCHEMBL1449881 0.67 RET (0.35) RET
SCHEMBL11913121 0.67 GPR119 (0.49) —
SCHEMBL1449901 0.66 RET (0.41) RET

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
EP-2144902-B1 [6,6]AND [6,7]-BICYCLIC GPR119 G PROTEIN-COUPLED RECEPTOR AGONISTS BRISTOL MYERS SQUIBB CO (US) 2012-05-16 — — EP disclosed
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