SCHEMBL20157263

SCHEMBL20157263

CC(C)(C)OC(=O)NCCc1cccc(C#N)c1N1CCNCC1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NQO2 P16083 1/20 0.44
DRD2 P14416 9/20 0.40
ACACB O00763 1/20 0.39
ACACA Q13085 1/20 0.39
DDB1 Q16531 2/20 0.38
CRBN Q96SW2 2/20 0.38
NAMPT P43490 1/20 0.38
IDO1 P14902 1/20 0.37
SIGMAR1 Q99720 2/20 0.37
FAAH O00519 1/20 0.36
DPP4 P27487 1/20 0.36

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
SCHEMBL20140730 0.81 SIGMAR1 (0.43) NQO2NAMPTSIGMAR1
SCHEMBL20139813 0.79 NAMPT (0.42) DRD2ACACBACACANAMPT
SCHEMBL20140007 0.76 SLC6A2 (0.37) DRD2DPP4
SCHEMBL3635639 0.75 HTR2C (0.47) DRD2DPP4
SCHEMBL31122858 0.75 HTR2C (0.51) DRD2DPP4
SCHEMBL20157262 0.75 MTOR (0.43) DRD2
SCHEMBL20157160 0.75 DRD2 (0.53) NQO2DRD2ACACBACACANAMPT
SCHEMBL22957300 0.73 NAMPT (0.51) NAMPTFAAH
SCHEMBL6990507 0.72 DRD2 (0.48) DRD2ACACBACACANAMPTSIGMAR1
SCHEMBL28258209 0.71 DRD2 (0.47) NQO2DRD2IDO1FAAH

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