SCHEMBL20157283

SCHEMBL20157283

Cc1cccc(C2CCN(C(=O)OC(C)(C)C)C2)n1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM5A P29375 1/20 0.53
TRPV3 Q8NET8 2/20 0.51
HTR1A P08908 3/20 0.49
DRD2 P14416 3/20 0.49
DRD4 P21917 3/20 0.49
HPGDS O60760 1/20 0.48
GRM5 P41594 1/20 0.47
KCNH2 Q12809 1/20 0.47
PDE4B Q07343 1/20 0.47
GPR119 Q8TDV5 3/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
USP30 Q70CQ3 2/20 0.45
KDM4E B2RXH2 1/20 0.44
MAPT P10636 1/20 0.44
THRB P10828 1/20 0.44

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
SCHEMBL20140687 1.00 KDM5A (0.53) KDM5ATRPV3HTR1ADRD2DRD4
SCHEMBL20140593 0.93 HTR1A (0.54) TRPV3HTR1ADRD2DRD4GRM5
SCHEMBL3001502 0.90 GRM5 (0.48) KDM5AHTR1ADRD2DRD4GRM5
SCHEMBL31232914 0.90 GRM5 (0.48) KDM5AHTR1ADRD2DRD4GRM5
SCHEMBL30912532 0.87 TRPV3 (0.52) TRPV3HPGDSPDE4BGPR119USP30
SCHEMBL31383577 0.87 TRPV3 (0.52) TRPV3HPGDSPDE4BGPR119USP30
SCHEMBL30912414 0.87 TRPV3 (0.52) TRPV3HPGDSPDE4BGPR119USP30
SCHEMBL23554565 0.85 TRPV3 (0.53) TRPV3HPGDSPDE4BGPR119USP30
SCHEMBL28769777 0.83 TRPV3 (0.46) TRPV3HPGDSPDE4BGPR119USP30
SCHEMBL30374041 0.82 GRM5 (0.45) KDM5AHTR1ADRD2DRD4GRM5

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