SCHEMBL7137182

SCHEMBL7137182

Nc1ccc2c(c1)[C@@H](N)c1ccccc1-2

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 2/20 0.49
HTR2B P41595 2/20 0.49
ALDH1A1 P00352 5/20 0.45
NPC1 O15118 3/20 0.45
RAB9A P51151 3/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
CYP3A4 P08684 3/20 0.45
TDP1 Q9NUW8 2/20 0.45
TSHR P16473 2/20 0.45
TP53 P04637 1/20 0.45
MAPK1 P28482 1/20 0.45
CDK5 Q00535 2/20 0.44
CDK5R1 Q15078 1/20 0.44
PTPRC P08575 2/20 0.44
LMNA P02545 2/20 0.44
HPGD P15428 2/20 0.44
POLB P06746 2/20 0.44
MEN1 O00255 1/20 0.44
APAF1 O14727 1/20 0.44
TDP2 O95551 1/20 0.44

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
SCHEMBL226371 1.00 HTR7 (0.49) HTR7HTR2BALDH1A1NPC1RAB9A
SCHEMBL942131 0.89 TSHR (0.39) HTR7HTR2BALDH1A1NPC1RAB9A
SCHEMBL30410319 0.82 HTR2A (0.52) HTR7HTR2BALDH1A1POLBMEN1
SCHEMBL353865 0.82 HTR2A (0.52) HTR7HTR2BALDH1A1POLBMEN1
SCHEMBL29444048 0.82 HTR2A (0.52) HTR7HTR2BALDH1A1POLBMEN1
Hydrochloric Acid SCHEMBL355946 0.79 HTR2A (0.50) HTR7HTR2BPOLBHTR2AGPR3
Water SCHEMBL28455469 0.79 HTR2A (0.50) HTR7HTR2BALDH1A1POLBMEN1
SCHEMBL22270015 0.79 HTR2A (0.50) HTR7HTR2BALDH1A1NPC1RAB9A
Bromide SCHEMBL4922157 0.79 HTR2A (0.50) HTR7HTR2BALDH1A1POLBMEN1
SCHEMBL1075715 0.78 HTR2B (0.51) HTR7HTR2BALDH1A1NPC1RAB9A

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1189929-B1 FACTOR VIIA INHIBITORS AVENTIS PHARMA GMBH (DE) 2003-08-06 EP disclosed
US-6500803-B1 Factor VIIa inhibitors AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2002-12-31 US disclosed
EP-1189929-A2 FACTOR VIIA INHIBITORS Aventis Pharma Deutschland GmbH (DE) 2002-03-27 EP disclosed
WO-2000075172-A2 FACTOR VIIa INHIBITORS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2000-12-14 WO disclosed
EP-1059302-A1 Factor VIIa inhibitors Aventis Pharma Deutschland GmbH (DE) 2000-12-13 EP disclosed