SCHEMBL4072190

SCHEMBL4072190

COc1cccc(NCCN2CCN(C)CC2)c1OC

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.51
POLB P06746 1/20 0.47
PGK1 P00558 2/20 0.46
NPSR1 Q6W5P4 1/20 0.45
CYP2D6 P10635 2/20 0.45
MEN1 O00255 1/20 0.45
ALDH1A1 P00352 1/20 0.45
CYP1A2 P05177 1/20 0.45
KMT2A Q03164 1/20 0.45
HTR6 P50406 1/20 0.44
HTR1A P08908 1/20 0.44
ADRA1D P25100 1/20 0.44
ADRA1A P35348 1/20 0.44
ADRA1B P35368 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
SIGMAR1 Q99720 1/20 0.43
NPC1 O15118 1/20 0.43
PABPC1 P11940 1/20 0.43
RAB9A P51151 1/20 0.43
TSHR P16473 1/20 0.43

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
SCHEMBL17255757 0.92 L3MBTL1 (0.49) L3MBTL1POLBPGK1NPSR1CYP2D6
SCHEMBL4930910 0.77 ACHE (0.62) L3MBTL1POLBNPSR1CYP2D6MEN1
SCHEMBL11808662 0.76 CHRM2 (0.46) L3MBTL1POLBALDH1A1KMT2AHTR1A
SCHEMBL27982786 0.74 TSHR (0.55) L3MBTL1POLBALDH1A1HTR1AADRA1D
SCHEMBL6930794 0.74 DRD2 (0.66) HTR6HTR1AADRA1DADRA1AADRA1B
SCHEMBL15244521 0.74 PGK1 (0.48) L3MBTL1PGK1HTR6HTR1AADRA1D
SCHEMBL12433870 0.73 CHRM2 (0.51) L3MBTL1POLBALDH1A1CYP1A2HTR1A
SCHEMBL15786248 0.73 ALDH1A1 (0.51) L3MBTL1PGK1CYP2D6MEN1ALDH1A1
SCHEMBL6527607 0.72 CYP2D6 (0.52) POLBNPSR1CYP2D6MEN1ALDH1A1
SCHEMBL9132120 0.72 SMN1; SMN2 (0.47) L3MBTL1POLBALDH1A1SMN1; SMN2NPC1

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-2029543-A2 SUBSTITUTED 3-CYANOPYRIDINES AS PROTEIN KINASE INHIBITORS Wyeth (US) 2009-03-04 EP disclosed
WO-2007146376-A2 SUBSTITUTED 3-CYANOPYRIDINES AS PROTEIN KINASE INHIBITORS WYETH (US) 2007-12-21 WO disclosed