SCHEMBL20139199

SCHEMBL20139199

C[C@H]1CN(c2ccccc2)CCN1C(=O)OC(C)(C)C

nearest known ligand 0.56

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
FAAH O00519 3/20 0.56
NR1H2 P55055 11/20 0.55
NR1H3 Q13133 10/20 0.55
GPR119 Q8TDV5 3/20 0.55
MAP4K4 O95819 1/20 0.52
HDAC1 Q13547 1/20 0.52

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
SCHEMBL15819221 1.00 FAAH (0.56) FAAHNR1H2NR1H3GPR119MAP4K4
SCHEMBL16933542 0.89 NR1H2 (0.57) FAAHNR1H2NR1H3MAP4K4HDAC1
SCHEMBL15441723 0.88 GPR119 (0.51) FAAHNR1H2NR1H3GPR119MAP4K4
SCHEMBL13279273 0.88 GPR119 (0.51) FAAHNR1H2NR1H3GPR119MAP4K4
SCHEMBL31181041 0.88 GPR119 (0.51) FAAHNR1H2NR1H3GPR119MAP4K4
SCHEMBL18377007 0.87 NR1H2 (0.53) FAAHNR1H2NR1H3GPR119MAP4K4
SCHEMBL15378173 0.87 FAAH (0.55) FAAHNR1H2NR1H3GPR119MAP4K4
SCHEMBL16580717 0.87 MAP4K4 (0.55) FAAHNR1H2NR1H3GPR119MAP4K4
SCHEMBL5465391 0.87 MAP4K4 (0.55) FAAHNR1H2NR1H3GPR119MAP4K4
SCHEMBL20139215 0.87 FAAH (0.55) FAAHNR1H2NR1H3GPR119MAP4K4

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