SCHEMBL20140957

SCHEMBL20140957

Cc1ccc(CN2CCN(c3ccccc3Cl)CC2)cc1C(=O)N1CCN(c2cccc(C(C)C)n2)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 1/20 0.44
HTR7 P34969 1/20 0.43
PARP1 P09874 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
ALDH1A1 P00352 2/20 0.42
KDM4E B2RXH2 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
USP2 O75604 1/20 0.41
TSHR P16473 1/20 0.41
CNR2 P34972 1/20 0.41
HSP90AA1 P07900 1/20 0.41
GAA P10253 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
HTR1A P08908 1/20 0.41
DRD2 P14416 1/20 0.41
ADRA1D P25100 1/20 0.41
HTR1B P28222 1/20 0.41
ADRA1A P35348 1/20 0.41

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
SCHEMBL20156931 0.79 MTOR (0.51) HTR7PARP1ALDH1A1KDM4ENPSR1
SCHEMBL20141569 0.77 RAB9A (0.46) GBA1HTR7MEN1KMT2AALDH1A1
SCHEMBL20140812 0.77 ALDH1A1 (0.56) HTR7MEN1KMT2AALDH1A1KDM4E
SCHEMBL20140202 0.76 HTR7 (0.55) HTR7ALDH1A1KDM4ENPSR1HTR1A
SCHEMBL20140304 0.76 GBA1 (0.44) GBA1PARP1MEN1KMT2AALDH1A1
SCHEMBL20156963 0.76 GBA1 (0.45) GBA1PARP1MEN1KMT2A
SCHEMBL20142392 0.76 P2RX7 (0.51) HTR7PARP1
SCHEMBL20140044 0.74 MTOR (0.54) HTR7PARP1MEN1KMT2AALDH1A1
SCHEMBL20142823 0.74 CYP46A1 (0.48) HTR7MEN1KMT2AALDH1A1KDM4E
SCHEMBL20141182 0.73 PARP1 (0.48) PARP1ALDH1A1KDM4ENPSR1GAA

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