SCHEMBL20142226

SCHEMBL20142226

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

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BRPF1 P55201 2/20 0.35
BRD4 O60885 1/20 0.35
BIRC2 Q13490 1/20 0.32
DRD2 P14416 6/20 0.32
KDM1A O60341 1/20 0.32
MEN1 O00255 1/20 0.32
GAA P10253 1/20 0.32
KMT2A Q03164 1/20 0.32
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
ADRB1 P08588 1/20 0.31
HTR4 Q13639 1/20 0.31

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
SCHEMBL20140670 0.89 BRPF1 (0.37) BRPF1BRD4BIRC2DRD2MEN1
SCHEMBL20141640 0.88 HTR1A (0.40) DRD2LMNAADRB1
SCHEMBL20142224 0.81 BRPF1 (0.33) BRPF1BRD4BIRC2MEN1GAA
SCHEMBL20157167 0.74 HTR1A (0.43) DRD2LMNAADRB1
SCHEMBL20139826 0.73 TAAR1 (0.40) MEN1KMT2A
SCHEMBL20157162 0.72 BRPF1 (0.39) BRPF1BRD4MEN1GAAKMT2A
SCHEMBL20139352 0.70 MTOR (0.41) MEN1GAAKMT2AALDH1A1LMNA
SCHEMBL20141638 0.69 HTR1A (0.41) DRD2LMNAADRB1
SCHEMBL22421882 0.67 MEN1 (0.49) MEN1KMT2ALMNA
SCHEMBL2459075 0.66 NCF1 (0.49) BRPF1BRD4BIRC2DRD2ALDH1A1

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