SCHEMBL20139895

SCHEMBL20139895

Cc1ccc(CN2CCC(c3ccccc3C#N)CC2)cc1C(=O)N1CCN(C)CC1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 1/20 0.46
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
HRH3 Q9Y5N1 2/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HTT P42858 1/20 0.40
MTOR P42345 1/20 0.40
RPTOR Q8N122 1/20 0.40
MLST8 Q9BVC4 1/20 0.40
FASN P49327 3/20 0.39
UTS2R Q9UKP6 1/20 0.39
FAAH O00519 1/20 0.39
CHKA P35790 1/20 0.39

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
SCHEMBL20157068 0.93 DRD4 (0.46) DRD4MEN1KMT2AHRH3KDM4E
SCHEMBL20140775 0.86 DRD4 (0.51) DRD4MEN1KMT2AFAAH
SCHEMBL20140777 0.85 DRD4 (0.43) DRD4MEN1KMT2AKDM4EALDH1A1
SCHEMBL20141538 0.81 DRD4 (0.41) DRD4KDM4EALDH1A1HTTMTOR
SCHEMBL20140044 0.80 MTOR (0.54) DRD4MEN1KMT2AKDM4EALDH1A1
SCHEMBL20156931 0.76 MTOR (0.51) DRD4KDM4EALDH1A1MTORRPTOR
SCHEMBL20156808 0.76 MTOR (0.38) DRD4MEN1KMT2AMTORRPTOR
SCHEMBL20157066 0.75 MTOR (0.46) DRD4KDM4EALDH1A1MTORRPTOR
SCHEMBL20141098 0.74 MTOR (0.71) DRD4KDM4EALDH1A1MTORRPTOR
SCHEMBL20140057 0.74 MTOR (0.51) DRD4KDM4EALDH1A1MTORRPTOR

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