Sugi Predict

Sugi Predict / Compounds / SCHEMBL2557582

SCHEMBL2557582

SCHEMBL2557582

Cc1nc(Br)ccc1OC1CCC(OC2CCN(C(C)C)CC2)CC1

nearest known ligand 0.47

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ GPR119 Q8TDV5 1/20 0.47
▸ SLC5A7 Q9GZV3 4/20 0.42
▸ HRH3 Q9Y5N1 14/20 0.40
▸ CYP1A2 P05177 1/20 0.39
▸ CYP2D6 P10635 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
SCHEMBL2554645 0.87 GPR119 (0.44) GPR119SLC5A7HRH3CYP2D6
SCHEMBL2556367 0.86 GPR119 (0.45) GPR119HRH3
SCHEMBL14634535 0.86 GPR119 (0.45) GPR119HRH3
SCHEMBL2556292 0.82 HRH3 (0.52) GPR119SLC5A7HRH3
SCHEMBL12282975 0.81 GPR119 (0.73) GPR119
SCHEMBL2553366 0.81 GPR119 (0.73) GPR119
SCHEMBL2554700 0.79 GPR119 (0.57) GPR119SLC5A7HRH3CYP1A2
SCHEMBL2551264 0.79 GPR119 (0.57) GPR119SLC5A7HRH3CYP1A2CYP2D6
SCHEMBL14634499 0.79 IKBKB (0.43) GPR119
SCHEMBL14634498 0.79 IKBKB (0.43) GPR119

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-2556056-A1 MODULATORS OF THE GPR119 RECEPTOR AND THE TREATMENT OF DISORDERS RELATED THERETO Arena Pharmaceuticals, Inc. (US) 2013-02-13 — — EP disclosed
WO-2011127051-A1 MODULATORS OF THE GPR119 RECEPTOR AND THE TREATMENT OF DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC. (US) 2011-10-13 — — WO disclosed