SCHEMBL20157076

SCHEMBL20157076

Cc1ccc(CN2CCN(c3ccccc3C)CC2)cc1C

nearest known ligand 0.69

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.62
DRD4 P21917 2/20 0.62
KDM4E B2RXH2 2/20 0.58
ALDH1A1 P00352 2/20 0.58
NPSR1 Q6W5P4 1/20 0.58
ATM Q13315 2/20 0.57
HTR7 P34969 2/20 0.56
ALOX15 P16050 1/20 0.55
TSHR P16473 1/20 0.55
FAAH O00519 1/20 0.52
TP53 P04637 1/20 0.51
MAPT P10636 1/20 0.51
LMNA P02545 1/20 0.51
GAA P10253 1/20 0.51
HTT P42858 1/20 0.51

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
SCHEMBL6030752 0.84 LMNA (0.67) DRD2DRD4KDM4EALDH1A1NPSR1
SCHEMBL8131885 0.84 ATM (0.67) DRD2DRD4ALDH1A1ATMHTR7
SCHEMBL6030972 0.83 ATM (0.62) DRD2DRD4KDM4EALDH1A1ATM
SCHEMBL8392161 0.82 DRD2 (0.56) DRD2DRD4KDM4EALDH1A1NPSR1
SCHEMBL18177896 0.82 ATM (0.64) DRD2DRD4KDM4EALDH1A1NPSR1
SCHEMBL11550567 0.82 ATM (0.61) DRD2DRD4KDM4EALDH1A1NPSR1
SCHEMBL18171326 0.82 MAPK1 (0.70) DRD2DRD4KDM4EATMHTR7
SCHEMBL15938505 0.81 DRD4 (0.70) DRD2DRD4ATMHTR7
SCHEMBL16281870 0.81 HTR7 (0.56) DRD2DRD4KDM4EALDH1A1NPSR1
SCHEMBL3436468 0.79 ATM (0.57) DRD2DRD4KDM4EALDH1A1NPSR1

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