SCHEMBL4431357

SCHEMBL4431357

c1ccc2c(c1)CCCN2c1c[nH]cn1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 2/20 0.56
NUDT1 P36639 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.43
JAK2 O60674 2/20 0.42
JAK3 P52333 1/20 0.42
PTK2 Q05397 1/20 0.42
RXRA P19793 2/20 0.41
RXRB P28702 2/20 0.41
RXRG P48443 2/20 0.41
GRM2 Q14416 1/20 0.41
ALDH1A1 P00352 4/20 0.41
KMT2A Q03164 4/20 0.41
MEN1 O00255 3/20 0.41
TAAR1 Q96RJ0 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
SIGMAR1 Q99720 1/20 0.41
LMNA P02545 2/20 0.40
HTT P42858 1/20 0.40
TSHR P16473 2/20 0.39
KDM4E B2RXH2 1/20 0.39

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
SCHEMBL18012073 0.76 ROCK1 (0.64) ROCK1NUDT1L3MBTL1JAK2JAK3
SCHEMBL8469552 0.73 ROCK1 (0.63) ROCK1NUDT1L3MBTL1JAK2JAK3
SCHEMBL10886509 0.73 ROCK1 (0.56) ROCK1NUDT1L3MBTL1JAK2JAK3
SCHEMBL4828614 0.72 TAAR1 (0.56) L3MBTL1ALDH1A1KMT2AMEN1TAAR1
SCHEMBL5245431 0.72 ROCK1 (0.63) ROCK1NUDT1L3MBTL1JAK2JAK3
SCHEMBL16071242 0.72 ROCK1 (0.58) ROCK1NUDT1L3MBTL1JAK2JAK3
SCHEMBL12922511 0.72 ROCK1 (0.55) ROCK1NUDT1L3MBTL1JAK2JAK3
SCHEMBL12968733 0.72 ROCK1 (1.00) ROCK1NUDT1
SCHEMBL17033290 0.72 ROCK1 (0.62) ROCK1NUDT1L3MBTL1JAK2JAK3
SCHEMBL30362762 0.71 ROCK1 (0.53) ROCK1NUDT1L3MBTL1JAK2JAK3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2121652-A1 4-IMIDAZOLYL-1,2,3,4-TETRAHYDROQUINOLINE DERIVATIVES AND THEIR USE AS ALDOSTERONE/11-BETA-HYDROXYLASE INHIBITORS Novartis AG (CH) 2009-11-25 EP disclosed
EP-2121652-A1 4-IMIDAZOLYL-1,2,3,4-TETRAHYDROQUINOLINE DERIVATIVES AND THEIR USE AS ALDOSTERONE/11-BETA-HYDROXYLASE INHIBITORS Novartis AG (CH) 2009-11-25 EP disclosed
WO-2008076860-A1 4-IMIDAZOLYL-1,2,3,4-TETRAHYDROQUINOLINE DERIVATIVES AND THEIR USE AS ALDOSTERONE/11-BETA-HYDROXYLASE INHIBITORS NOVARTIS AG (CH) 2008-06-26 WO disclosed
WO-2008076860-A1 4-IMIDAZOLYL-1,2,3,4-TETRAHYDROQUINOLINE DERIVATIVES AND THEIR USE AS ALDOSTERONE/11-BETA-HYDROXYLASE INHIBITORS NOVARTIS AG (CH) 2008-06-26 WO disclosed