SCHEMBL20157068

SCHEMBL20157068

CC(=O)N1CCN(C(=O)c2cc(CN3CCC(c4ccccc4C#N)CC3)ccc2C)CC1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 1/20 0.46
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
RORC P51449 1/20 0.42
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HTT P42858 1/20 0.40
CYP2C9 P11712 2/20 0.40
CYP1A2 P05177 1/20 0.40
TSHR P16473 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40
MCHR1 Q99705 1/20 0.40
FASN P49327 3/20 0.39
CYP2C19 P33261 1/20 0.39
HTR2B P41595 1/20 0.39
MAPK14 Q16539 1/20 0.39
UTS2R Q9UKP6 1/20 0.39
FAAH O00519 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
SCHEMBL20139895 0.93 DRD4 (0.46) DRD4MEN1KMT2AKDM4EALDH1A1
SCHEMBL20140775 0.86 DRD4 (0.51) DRD4MEN1KMT2AHTR2BFAAH
SCHEMBL20140777 0.85 DRD4 (0.43) DRD4MEN1KMT2AKDM4EALDH1A1
SCHEMBL20141538 0.81 DRD4 (0.41) DRD4KDM4EALDH1A1HTT
SCHEMBL20140044 0.80 MTOR (0.54) DRD4MEN1KMT2AKDM4EALDH1A1
SCHEMBL20156931 0.76 MTOR (0.51) DRD4KDM4EALDH1A1CYP1A2TSHR
SCHEMBL20156808 0.76 MTOR (0.38) DRD4MEN1KMT2AFASN
SCHEMBL20157066 0.75 MTOR (0.46) DRD4KDM4EALDH1A1CYP1A2FASN
SCHEMBL20141098 0.74 MTOR (0.71) DRD4KDM4EALDH1A1TSHRUTS2R
SCHEMBL20140057 0.74 MTOR (0.51) DRD4KDM4EALDH1A1CYP1A2FASN

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