SCHEMBL20140670

SCHEMBL20140670

COCN(CCCc1ccccc1N1CCN[C@@H](C)C1)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BRPF1 P55201 2/20 0.37
BRD4 O60885 1/20 0.37
BIRC2 Q13490 3/20 0.34
XIAP P98170 2/20 0.34
MLNR O43193 3/20 0.34
SLC6A9 P48067 1/20 0.34
MEN1 O00255 1/20 0.33
GAA P10253 1/20 0.33
KMT2A Q03164 1/20 0.33
DRD2 P14416 2/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
ADRB1 P08588 1/20 0.33
HTR1A P08908 1/20 0.32
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
SLC6A3 Q01959 1/20 0.32
HDAC1 Q13547 1/20 0.32

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
SCHEMBL20142226 0.89 BRPF1 (0.35) BRPF1BRD4BIRC2MEN1GAA
SCHEMBL20142224 0.88 BRPF1 (0.33) BRPF1BRD4BIRC2XIAPSLC6A9
SCHEMBL20141640 0.76 HTR1A (0.40) MLNRDRD2LMNAADRB1HTR1A
SCHEMBL20157162 0.75 BRPF1 (0.39) BRPF1BRD4MEN1GAAKMT2A
SCHEMBL20141638 0.74 HTR1A (0.41) MLNRDRD2LMNAADRB1HTR1A
SCHEMBL5745275 0.70 BRPF1 (0.53) BRPF1BRD4BIRC2XIAPMEN1
SCHEMBL2459077 0.69 NCF1 (0.49) BRPF1BRD4BIRC2DRD2ALDH1A1
SCHEMBL2459075 0.69 NCF1 (0.49) BRPF1BRD4BIRC2DRD2ALDH1A1
SCHEMBL5745220 0.68 BRPF1 (0.47) BRPF1BRD4BIRC2GAAALDH1A1
SCHEMBL11106905 0.66 ALDH1A1 (0.46) BRPF1BRD4BIRC2ALDH1A1LMNA

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