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Sugi Predict / Compounds / SCHEMBL14723276

SCHEMBL14723276

SCHEMBL14723276

COC1(c2noc(N3CCC(N(C(=O)c4cnc(N5CC(NC(=O)OC(C)(C)C)(c6ncc(C(=O)N(C7CC7)C7CCN(c8nc(C9(OC)CC9)no8)CC7)cn6)C(c6ncc(C(=O)N(C7CC7)C7CCN(c8nc(C9(OC)CC9)no8)CC7)cn6)(c6cc(F)ccc6F)C5)nc4)C4CC4)CC3)n2)CC1

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ GPR119 Q8TDV5 17/20 0.33
▸ MAPT P10636 1/20 0.30

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
SCHEMBL14723274 0.80 GPR119 (0.33) GPR119MAPT
SCHEMBL14730179 0.68 GPR119 (0.34) GPR119
SCHEMBL14730227 0.68 NTRK1 (0.34) GPR119
SCHEMBL6128595 0.66 GPR119 (0.39) GPR119
SCHEMBL14722777 0.66 GPR119 (0.34) GPR119
SCHEMBL14722774 0.65 GPR119 (0.34) GPR119
SCHEMBL14730268 0.65 GPR119 (0.35) GPR119
SCHEMBL14730252 0.64 GPR119 (0.37) GPR119MAPT
SCHEMBL14730312 0.64 GPR119 (0.36) GPR119MAPT
SCHEMBL14730204 0.64 GPR119 (0.35) GPR119MAPT

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-2013026587-A1 1,4 DISUBSTITUTED PYRROLIDINE - 3 - YL -AMINE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF METABOLIC DISORDERS PROSIDION LIMITED (GB) 2013-02-28 — — WO disclosed