SCHEMBL20156911

SCHEMBL20156911

Cc1ccc(CN2CCN(c3ccccc3C)CC2)cc1C(=O)N1CCN(c2ccccc2C=O)CC1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.55
ALDH1A1 P00352 2/20 0.55
NPSR1 Q6W5P4 1/20 0.55
ATM Q13315 1/20 0.49
DRD2 P14416 2/20 0.48
DRD4 P21917 2/20 0.48
HTT P42858 2/20 0.45
LMNA P02545 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
USP2 O75604 1/20 0.45
TSHR P16473 1/20 0.45
MYC P01106 1/20 0.45
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 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
SCHEMBL20157078 0.86 MYC (0.47) KDM4EALDH1A1NPSR1ATMHTT
SCHEMBL12189576 0.81 HTT (0.60) KDM4EALDH1A1NPSR1HTTLMNA
SCHEMBL20140044 0.81 MTOR (0.54) KDM4EALDH1A1NPSR1DRD2DRD4
SCHEMBL20157212 0.80 GBA1 (0.51) KDM4EALDH1A1NPSR1ATMDRD2
SCHEMBL20157290 0.79 MTOR (0.50) KDM4EALDH1A1NPSR1ATMDRD2
SCHEMBL20156914 0.77 MYC (0.46) KDM4EALDH1A1NPSR1ATMHTT
SCHEMBL20156931 0.77 MTOR (0.51) KDM4EALDH1A1NPSR1DRD2DRD4
SCHEMBL20157082 0.76 MYC (0.54) KDM4EALDH1A1NPSR1ATMHTT
SCHEMBL20157034 0.76 NPC1 (0.42) KDM4EALDH1A1NPSR1SMN1; SMN2MYC
SCHEMBL20157076 0.74 DRD2 (0.62) KDM4EALDH1A1NPSR1ATMDRD2

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