SCHEMBL5070484

SCHEMBL5070484

Cc1cc(C(N)=O)ccc1C(=O)N1CCCC1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HPGD P15428 9/20 0.54
HTT P42858 1/20 0.53
TSHR P16473 1/20 0.51
ALDH1A1 P00352 4/20 0.50
KMT2A Q03164 2/20 0.50
PLA2G7 Q13093 1/20 0.49
L3MBTL3 Q96JM7 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
GAA P10253 1/20 0.46
CNR2 P34972 1/20 0.46
POLB P06746 1/20 0.46
ATM Q13315 1/20 0.46
MEN1 O00255 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45

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
SCHEMBL542082 0.98 HPGD (0.54) HPGDHTTTSHRALDH1A1KMT2A
SCHEMBL11454853 0.98 HPGD (0.54) HPGDHTTTSHRALDH1A1KMT2A
Terephthalamide SCHEMBL1181439 0.97 HPGD (0.52) HPGDHTTTSHRALDH1A1KMT2A
SCHEMBL1194014 0.94 HPGD (0.57) HPGDHTTTSHRALDH1A1KMT2A
SCHEMBL539053 0.94 HPGD (0.57) HPGDHTTTSHRALDH1A1KMT2A
SCHEMBL1159852 0.94 HPGD (0.57) HPGDHTTTSHRALDH1A1KMT2A
SCHEMBL6471454 0.87 HPGD (0.60) HPGDTSHRALDH1A1KMT2APLA2G7
SCHEMBL5096987 0.85 HPGD (0.55) HPGDHTTTSHRALDH1A1KMT2A
SCHEMBL6554624 0.84 HPGD (0.54) HPGDHTTTSHRALDH1A1KMT2A
SCHEMBL13519382 0.83 KMT2A (0.45) HPGDTSHRALDH1A1KMT2AL3MBTL1

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-1885354-A2 COMBINATIONS COMPRISING AT LEAST ONE DIRECT THROMBIN INHIBITOR FOR THE TREATMENT OF THROMBOSIS Boehringer Ingelheim International GmbH (DE) 2008-02-13 EP disclosed
WO-2006103206-A2 COMBINATIONS COMPRISING AT LEAST ONE DIRECT THROMBIN INHIBITOR FOR THE TREATMENT OF THROMBOSIS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-10-05 WO disclosed
EP-1575925-A1 NOVEL CARBOXAMIDES, THE PRODUCTION AND USE THEREOF AS MEDICAMENTS Boehringer Ingelheim International GmbH (DE) 2005-09-21 EP disclosed
WO-2004056784-A1 NOVEL CARBOXAMIDES, THE PRODUCTION AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-07-08 WO disclosed