SCHEMBL7316374

SCHEMBL7316374

N#Cc1cccc(OCc2ccncc2)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 1/20 0.58
TBXAS1 P24557 1/20 0.52
MAOB P27338 2/20 0.50
SMPD1 P17405 1/20 0.49
FFAR1 O14842 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
NOS3 P29474 1/20 0.48
NOS1 P29475 1/20 0.48
NOS2 P35228 1/20 0.48
MEN1 O00255 1/20 0.48
MAPK1 P28482 1/20 0.48
HTT P42858 1/20 0.48
KMT2A Q03164 1/20 0.48
TLR4 O00206 1/20 0.48
TLR2 O60603 1/20 0.48
NR1H4 Q96RI1 1/20 0.47
GPR34 Q9UPC5 1/20 0.47
GABRG2 P18507 1/20 0.47
GABRB3 P28472 1/20 0.47
GABRA5 P31644 1/20 0.47

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
SCHEMBL538272 0.85 MAOB (0.69) MAOBSMPD1FFAR1SMN1; SMN2GPR34
SCHEMBL30344886 0.85 MAOB (0.69) MAOBSMPD1FFAR1SMN1; SMN2GPR34
SCHEMBL28999638 0.81 NR4A2 (0.58) MAOBSMPD1FFAR1SMN1; SMN2MEN1
SCHEMBL27510264 0.81 MAOB (0.53) MAOBSMPD1FFAR1SMN1; SMN2NR1H4
SCHEMBL4029474 0.80 NPC1 (0.57) MAOBSMPD1FFAR1NR1H4GPR34
SCHEMBL1249009 0.80 GPR34 (0.58) MAOBSMPD1FFAR1NR1H4GPR34
SCHEMBL25196861 0.78 SMPD1 (0.62) CYP11B1MAOBSMPD1
SCHEMBL30391457 0.78 SMPD1 (0.62) CYP11B1MAOBSMPD1
SCHEMBL7452913 0.78 GABRG2 (0.56) MAOBFFAR1GPR34GABRG2GABRB3
SCHEMBL23541335 0.78 FFAR1 (0.51) MAOBSMPD1FFAR1NR1H4GPR34

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
US-5958929-A CONGESTIVE HEART FAILURE; HYPOTENSIVE AGENTS SANOFI (FR) 1999-09-28 US disclosed
EP-0813534-A4 6-ARYL PYRAZOLO 3,4-d]PYRIMIDIN-4-ONES AND COMPOSITIONS AND METHODS OF USE THEREOF SANOFI WINTHROP INC (US) 1998-06-10 EP disclosed
US-5736548-A CYCLIC GUANOSINE 3*,5*-MONOPHOSPHATE PHOSPHODIESTERASE INHIBITORS; TREATING HEART FAILURE, HYPERTENSION SANOFI (FR) 1998-04-07 US disclosed
EP-0813534-A1 6-ARYL PYRAZOLO 3,4-d]PYRIMIDIN-4-ONES AND COMPOSITIONS AND METHODS OF USE THEREOF SANOFI PHARMACEUTICALS, INC. (US) 1997-12-29 EP disclosed
WO-1996028448-A1 6-ARYL PYRAZOLO[3,4-d]PYRIMIDIN-4-ONES AND COMPOSITIONS AND METHODS OF USE THEREOF SANOFI WINTHROP, INC. (US) 1996-09-19 WO disclosed