SCHEMBL3247872

SCHEMBL3247872

O=C(CN1C(=O)COc2cc(-c3cc(Cl)cc(Cl)c3)cnc21)N1CCc2cc(F)ccc2C1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.46
TSHR P16473 1/20 0.46
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
MAPK1 P28482 10/20 0.38
GRIN2B Q13224 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.36
ALDH1A1 P00352 2/20 0.36
LMNA P02545 2/20 0.36
USP2 O75604 1/20 0.36
DPP4 P27487 1/20 0.35
DPP8 Q6V1X1 1/20 0.35
POLB P06746 1/20 0.35

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
SCHEMBL3251252 0.93 GAA (0.47) GAATSHRMEN1KMT2ANPSR1
SCHEMBL3236789 0.91 GAA (0.55) GAATSHRMEN1KMT2ANPSR1
SCHEMBL13521136 0.91 TSHR (0.56) GAATSHRMEN1KMT2ANPSR1
SCHEMBL3254471 0.89 TSHR (0.46) GAATSHRMEN1KMT2ANPSR1
SCHEMBL13521719 0.87 TSHR (0.46) GAATSHRMEN1KMT2ANPSR1
SCHEMBL3241489 0.85 TSHR (0.46) GAATSHRMEN1KMT2ANPSR1
SCHEMBL3251960 0.85 TSHR (0.43) GAATSHRMEN1KMT2ANPSR1
SCHEMBL3241049 0.82 TSHR (0.46) GAATSHRMEN1KMT2ANPSR1
SCHEMBL13521687 0.82 GAA (0.39) GAATSHRMAPK1GRIN2BL3MBTL1
SCHEMBL13521716 0.81 MEN1 (0.40) GAATSHRMEN1KMT2ANPSR1

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
WO-2010008777-A2 FUSED AZABICYCLIC PYRIDINES LIGAND PHARMACEUTICALS INC. (US) 2010-01-21 WO claimed
WO-2010008777-A2 FUSED AZABICYCLIC PYRIDINES LIGAND PHARMACEUTICALS INC. (US) 2010-01-21 WO disclosed