SCHEMBL20157212

SCHEMBL20157212

Cc1ccnc(N2CCN(C(=O)c3cc(CN4CCN(c5ccccc5C)CC4)ccc3C)CC2)n1

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 7/20 0.51
KDM4E B2RXH2 2/20 0.51
ALDH1A1 P00352 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
SLC6A7 Q99884 1/20 0.50
ATM Q13315 1/20 0.48
DRD2 P14416 2/20 0.46
DRD4 P21917 2/20 0.46
HPGD P15428 1/20 0.46

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
SCHEMBL20157021 0.91 SLC6A7 (0.46) GBA1KDM4EALDH1A1NPSR1SLC6A7
SCHEMBL20157037 0.87 SLC6A7 (0.52) GBA1KDM4ESLC6A7HPGD
SCHEMBL20141809 0.83 GBA1 (0.44) GBA1KDM4EALDH1A1NPSR1DRD4
SCHEMBL20140693 0.81 HCRTR1 (0.49) GBA1KDM4EALDH1A1NPSR1
SCHEMBL20156911 0.80 KDM4E (0.55) KDM4EALDH1A1NPSR1ATMDRD2
SCHEMBL20140044 0.77 MTOR (0.54) KDM4EALDH1A1NPSR1DRD2DRD4
SCHEMBL20157290 0.77 MTOR (0.50) KDM4EALDH1A1NPSR1ATMDRD2
SCHEMBL20140472 0.76 PARP1 (0.46) GBA1KDM4EALDH1A1
SCHEMBL20157539 0.76 MTOR (0.46) KDM4EALDH1A1NPSR1DRD4HPGD
SCHEMBL20140785 0.76 PARP1 (0.47) KDM4EALDH1A1NPSR1

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