SCHEMBL4439262

SCHEMBL4439262

COc1ccc(N(C(=O)OC(C)(C)C)C2CCNCC2)c(N)c1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.39
HTR4 Q13639 2/20 0.38
ALDH1A1 P00352 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
SLC6A2 P23975 3/20 0.37
SLC6A4 P31645 3/20 0.37
MC4R P32245 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
SLC6A3 Q01959 1/20 0.35
TYRO3 Q06418 1/20 0.35
HTR2C P28335 2/20 0.34
HPGDS O60760 1/20 0.34
GPR119 Q8TDV5 1/20 0.34
TACR1 P25103 1/20 0.34
STS P08842 1/20 0.33

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
SCHEMBL4445222 0.87 RPLP1 (0.40) EPHX2ALDH1A1MC4RMEN1KMT2A
SCHEMBL4442462 0.86 MEN1 (0.36) SLC6A2SLC6A4MEN1KMT2ASLC6A3
SCHEMBL4444981 0.85 SLC6A4 (0.40) ALDH1A1SLC6A2SLC6A4MEN1KMT2A
SCHEMBL4437622 0.84 GAA (0.35) SLC6A2SLC6A4MEN1KMT2ASLC6A3
SCHEMBL4434907 0.84 TACR1 (0.40) ALDH1A1SLC6A2SLC6A4SLC6A3HTR2C
SCHEMBL4439400 0.83 POLB (0.40) EPHX2ALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL5214565 0.82 SLC6A2 (0.37) SLC6A2SLC6A4MEN1KMT2ASLC6A3
SCHEMBL4434449 0.81 MAPK1 (0.40) ALDH1A1SMN1; SMN2SLC6A2SLC6A4MEN1
SCHEMBL573598 0.81 QPCT (0.41) HTR4ALDH1A1SLC6A2SLC6A4MEN1
SCHEMBL574274 0.80 EHMT2 (0.39) HTR4SLC6A2SLC6A4MEN1KMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2132177-A1 PIM KINASE INHIBITORS AND METHODS OF THEIR USE Novartis Ag (CH) 2009-12-16 EP disclosed
WO-2008106692-A1 PIM KINASE INHIBITORS AND METHODS OF THEIR USE NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2008-09-04 WO disclosed