SCHEMBL6992210

SCHEMBL6992210

O=C(O)CCNC(=O)c1cccn1Cc1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 6/20 0.64
RAB9A P51151 2/20 0.51
NPC1 O15118 1/20 0.51
EGLN1 Q9GZT9 2/20 0.51
SCN3A Q9NY46 1/20 0.48
BRD4 O60885 2/20 0.48
CNR1 P21554 2/20 0.47
BRD2 P25440 1/20 0.47
BRD3 Q15059 1/20 0.47
BRDT Q58F21 1/20 0.47
MAPT P10636 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
KDM4E B2RXH2 1/20 0.45
MME P08473 1/20 0.45
ACE P12821 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
SCHEMBL6991981 0.84 CNR2 (0.56) CNR2RAB9ANPC1SCN3ABRD4
SCHEMBL6988747 0.83 CNR2 (0.55) CNR2RAB9ANPC1SCN3ABRD4
SCHEMBL6993812 0.82 NPC1 (0.47) CNR2RAB9ANPC1BRD4MAPT
SCHEMBL9037906 0.80 NPC1 (0.48) CNR2RAB9ANPC1MAPT
SCHEMBL9037774 0.78 NPSR1 (0.47) CNR2RAB9ANPC1CNR1SMN1; SMN2
SCHEMBL1607395 0.76 CNR2 (0.57) CNR2RAB9ASCN3ABRD4BRD2
SCHEMBL6988127 0.76 RAB9A (0.68) RAB9ANPC1SMN1; SMN2
SCHEMBL14817322 0.75 KDM4E (0.71) CNR2RAB9ASCN3ABRD4CNR1
SCHEMBL13505633 0.74 CNR2 (0.72) CNR2RAB9ANPC1CNR1SMN1; SMN2
SCHEMBL5252962 0.73 CNR2 (0.55) CNR2RAB9ASCN3ABRD4CNR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0557526-B1 PYRROLOAZEPINE COMPOUND SUNTORY LTD (JP) 2003-04-02 EP disclosed
EP-0551527-B1 PYRROLOAZEPINE DERIVATIVE SUNTORY LTD (JP) 2003-04-02 EP disclosed
EP-0441349-B1 Pyrroloazepine derivatives SUNTORY LTD (JP) 1996-01-03 EP disclosed
US-5416082-A Antiserotonine agents SUNTORY LIMITED (JP) 1995-05-16 US disclosed
US-5399557-A Cardiovascular disorders SUNTORY LIMITED (JP) 1995-03-21 US disclosed
US-5397780-A Antiserotonine, hypotensive, congestive heart failure SUNTORY LIMITED (JP) 1995-03-14 US disclosed
US-5391731-A Useful therapeutics for circulatory diseases SUNTORY LIMITED (JP) 1995-02-21 US disclosed
EP-0557526-A1 PYRROLOAZEPINE COMPOUND SUNTORY LIMITED (JP) 1993-09-01 EP disclosed
EP-0551527-A1 PYRROLOAZEPINE DERIVATIVE SUNTORY LIMITED (JP) 1993-07-21 EP disclosed
US-5206239-A Cardiovascular disorders SUNTORY LIMITED (JP) 1993-04-27 US disclosed
EP-0441349-A1 Pyrroloazepine derivatives SUNTORY LIMITED (JP) 1991-08-14 EP disclosed