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Sugi Predict / Compounds / SCHEMBL20139232

SCHEMBL20139232

SCHEMBL20139232

C[C@H]1CN(c2cccc(Cl)c2)CCN1C(=O)OC(C)(C)C

nearest known ligand 0.55

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ NR1H2 P55055 12/20 0.55
▸ NR1H3 Q13133 11/20 0.54
▸ SUV39H2 Q9H5I1 2/20 0.52
▸ FAAH O00519 3/20 0.51
▸ MGLL Q99685 1/20 0.48
▸ MAPT P10636 1/20 0.48

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
SCHEMBL30208177 1.00 NR1H2 (0.55) NR1H2NR1H3SUV39H2FAAHMGLL
SCHEMBL20141060 0.88 NR1H2 (0.55) NR1H2NR1H3SUV39H2FAAH
SCHEMBL30005266 0.88 SUV39H2 (0.51) NR1H2NR1H3SUV39H2
SCHEMBL15819221 0.86 FAAH (0.56) NR1H2NR1H3FAAH
SCHEMBL20139199 0.86 FAAH (0.56) NR1H2NR1H3FAAH
SCHEMBL16933542 0.86 NR1H2 (0.57) NR1H2NR1H3SUV39H2FAAH
SCHEMBL12603488 0.85 NR1H2 (0.49) NR1H2NR1H3SUV39H2MGLLMAPT
SCHEMBL29128140 0.85 NR1H2 (0.58) NR1H2NR1H3MAPT
SCHEMBL20159043 0.84 CHRM2 (0.53) NR1H2NR1H3SUV39H2FAAH
SCHEMBL4573047 0.84 SUV39H2 (0.53) NR1H2NR1H3SUV39H2

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-2018089493-A1 PYRROLE 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