Sugi Predict

Sugi Predict / Compounds / SCHEMBL20157181

SCHEMBL20157181

SCHEMBL20157181

C[C@@H]1CN(c2ccc3cc[nH]c3c2)CCN1C(=O)OC(C)(C)C

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ GHSR Q92847 4/20 0.49
▸ NR1H2 P55055 10/20 0.48
▸ NR1H3 Q13133 9/20 0.48
▸ SUV39H2 Q9H5I1 2/20 0.47
▸ MAP4K4 O95819 1/20 0.47
▸ FAAH O00519 1/20 0.44
▸ GPR119 Q8TDV5 2/20 0.43

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
SCHEMBL20139336 0.93 SUV39H2 (0.47) GHSRNR1H2NR1H3SUV39H2MAP4K4
SCHEMBL20139337 0.93 SUV39H2 (0.47) GHSRNR1H2NR1H3SUV39H2MAP4K4
SCHEMBL4589911 0.84 SUV39H2 (0.47) NR1H2NR1H3SUV39H2MAP4K4GPR119
SCHEMBL4589914 0.84 SUV39H2 (0.47) NR1H2NR1H3SUV39H2MAP4K4GPR119
SCHEMBL29979105 0.82 MAPT (0.54) GHSRGPR119
SCHEMBL1226103 0.82 MAPT (0.54) GHSRGPR119
SCHEMBL20139589 0.80 NR1H2 (0.59) NR1H2NR1H3SUV39H2MAP4K4FAAH
SCHEMBL13279273 0.79 GPR119 (0.51) NR1H2NR1H3SUV39H2MAP4K4FAAH
SCHEMBL31181041 0.79 GPR119 (0.51) NR1H2NR1H3SUV39H2MAP4K4FAAH
SCHEMBL15441723 0.79 GPR119 (0.51) NR1H2NR1H3SUV39H2MAP4K4FAAH

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
WO-2018089433-A1 PHENYL mTORC INHIBITORS AND USES THEREOF NAVITOR PHARMACEUTICALS, INC. (US) 2018-05-17 — — WO disclosed
WO-2018089493-A1 PYRROLE mTORC INHIBITORS AND USES THEREOF NAVITOR PHARMACEUTICALS, INC. (US) 2018-05-17 — — WO disclosed