SCHEMBL3651007

SCHEMBL3651007

c1ccc2cc(-c3nccn3C3CCNCC3)ccc2c1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 1/20 0.47
SLC6A2 P23975 3/20 0.44
SLC6A4 P31645 3/20 0.44
HTR3A P46098 1/20 0.44
KCNH2 Q12809 1/20 0.44
SLC6A3 Q01959 2/20 0.43
BRD4 O60885 4/20 0.41
NISCH Q9Y2I1 1/20 0.40
MAPK14 Q16539 8/20 0.40
GABRA1 P14867 1/20 0.40
GABRG2 P18507 1/20 0.40
GABRB3 P28472 1/20 0.40
MAPK10 P53779 3/20 0.39
MAPK9 P45984 2/20 0.39
MAPK8 P45983 1/20 0.39
MAPK13 O15264 1/20 0.39
MAPK12 P53778 1/20 0.39
MAPK11 Q15759 1/20 0.39
BRDT Q58F21 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
SCHEMBL6039509 0.83 NSD3 (0.43) BRD4MAPK14GABRA1GABRG2GABRB3
SCHEMBL6039495 0.79 CYP1A2 (0.49) HTR3ABRD4NISCHMAPK14
Trifluoroacetic Acid SCHEMBL16827760 0.74 NSD3 (0.39) MAPK14MAPK13MAPK12MAPK11
SCHEMBL3647759 0.73 PRKCI (0.44) NR1H4SLC6A2SLC6A4SLC6A3BRD4
SCHEMBL3646647 0.72 NR1H4 (0.41) NR1H4SLC6A2SLC6A4HTR3AKCNH2
SCHEMBL3651945 0.72 NR1H4 (0.48) NR1H4SLC6A2SLC6A4HTR3AKCNH2
SCHEMBL3652136 0.72 PRKCI (0.43) NR1H4BRD4MAPK14MAPK9MAPK13
SCHEMBL3644182 0.72 NR1H4 (0.43) NR1H4SLC6A2SLC6A4HTR3AKCNH2
SCHEMBL3696040 0.71 PRKDC (0.37) NR1H4SLC6A2SLC6A4HTR3AKCNH2
SCHEMBL3698976 0.71 NR1H4 (0.36) NR1H4SLC6A2SLC6A4HTR3AKCNH2

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-2185556-A1 IMIDAZOPYRIDINE ANALOGS AND THEIR USE AS AGONISTS OF THE WNT-BETA-CATENIN CELLULAR MESSAGING SYSTEM Wyeth a Corporation of the State of Delaware (US) 2010-05-19 EP disclosed
WO-2009029609-A1 IMIDAZOPYRIDINE ANALOGS AND THEIR USE AS AGONISTS OF THE WNT-BETA-CATENIN CELLULAR MESSAGING SYSTEM WYETH (US) 2009-03-05 WO disclosed