SCHEMBL248423

SCHEMBL248423

COC(=O)c1ccc(N2CCN(C(C)(C)C)CC2)cn1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.51
MAPK1 P28482 2/20 0.48
KMT2A Q03164 2/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
GPR119 Q8TDV5 1/20 0.41
TGM2 P21980 1/20 0.41
MAPT P10636 4/20 0.40
MEN1 O00255 1/20 0.40
TSHR P16473 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
KDM4E B2RXH2 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HDAC3 O15379 2/20 0.39
HDAC2 Q92769 1/20 0.39
SLC2A1 P11166 1/20 0.39
HSD11B1 P28845 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C18 P33260 1/20 0.38

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
SCHEMBL27893458 0.85 HRH3 (0.47) HRH3MAPK1KMT2ANPC1RAB9A
SCHEMBL64453 0.85 HRH3 (0.54) HRH3MAPK1KMT2ANPC1RAB9A
SCHEMBL14875984 0.83 HRH3 (0.57) HRH3MAPK1KMT2ANPC1RAB9A
SCHEMBL25246829 0.82 HRH3 (0.57) HRH3MAPK1KMT2ANPC1RAB9A
SCHEMBL23961033 0.82 HRH3 (0.57) HRH3MAPK1KMT2AMAPTMEN1
SCHEMBL31073082 0.82 TRPC6 (0.54) HRH3MAPK1KMT2ANPC1RAB9A
SCHEMBL30263227 0.82 HRH3 (0.57) HRH3MAPK1KMT2AMAPTMEN1
SCHEMBL29913781 0.82 SMN1; SMN2 (0.60) HRH3KMT2AGPR119MAPTMEN1
SCHEMBL14802410 0.82 SMN1; SMN2 (0.60) HRH3KMT2AGPR119MAPTMEN1
SCHEMBL24107649 0.81 HRH3 (0.51) HRH3MAPK1KMT2ANPC1RAB9A

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-2588453-A1 COMPOSITIONS AND METHODS FOR MODULATING THE WNT SIGNALING PATHWAY IRM LLC (BM) 2013-05-08 EP disclosed
WO-2012003189-A1 COMPOSITIONS AND METHODS FOR MODULATING THE WNT SIGNALING PATHWAY IRM LLC (BM) 2012-01-05 WO disclosed