SCHEMBL8980728

SCHEMBL8980728

O=C(NCCCCl)c1ccccc1OCc1ccccc1

nearest known ligand 0.70

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SGMS2 Q8NHU3 5/20 0.70
LMNA P02545 1/20 0.62
MAPT P10636 1/20 0.62
L3MBTL1 Q9Y468 1/20 0.62
HCRTR1 O43613 2/20 0.59
NPC1 O15118 2/20 0.59
MEN1 O00255 4/20 0.59
KMT2A Q03164 4/20 0.59
ALDH1A1 P00352 1/20 0.59
GAA P10253 1/20 0.58
RAB9A P51151 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
OPRK1 P41145 1/20 0.54
OPRL1 P41146 1/20 0.54
HIF1A Q16665 1/20 0.54

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
SCHEMBL8980612 0.89 SGMS2 (0.70) SGMS2LMNAMAPTL3MBTL1HCRTR1
SCHEMBL1927224 0.86 SGMS2 (0.74) SGMS2LMNAMAPTL3MBTL1HCRTR1
SCHEMBL18644999 0.84 SGMS2 (0.72) SGMS2LMNAMAPTL3MBTL1HCRTR1
SCHEMBL3018273 0.81 SGMS2 (0.76) SGMS2LMNAMAPTL3MBTL1NPC1
SCHEMBL974381 0.79 SGMS2 (0.72) SGMS2LMNAMAPTL3MBTL1NPC1
SCHEMBL6748166 0.79 SGMS2 (0.72) SGMS2LMNAMAPTL3MBTL1NPC1
SCHEMBL7344495 0.79 SGMS2 (0.59) SGMS2LMNAMAPTL3MBTL1NPC1
SCHEMBL22351623 0.79 SGMS2 (0.56) SGMS2LMNAMAPTL3MBTL1HCRTR1
SCHEMBL27606875 0.79 SGMS2 (0.64) SGMS2LMNAMAPTL3MBTL1NPC1
SCHEMBL18645004 0.78 SGMS2 (0.62) SGMS2LMNAMAPTL3MBTL1HCRTR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1132508-A Piperazine derivatives REORDATI IND CHIMICA E FARMACE (CH) 1996-10-02 CN disclosed
EP-0711288-A1 PIPERAZINE DERIVATIVES AS ALPHA 1A-ADRENERGIC RECEPTOR ANTAGONISTS RECORDATI INDUSTRIA CHIMICA E FARMACEUTICA S.p.a. (IT) 1996-05-15 EP disclosed
WO-1995004049-A1 PIPERAZINE DERIVATIVES AS α1A-ADRENERGIC RECEPTOR ANTAGONISTS RECORDATI S.A., CHEMICAL AND PHARMACEUTICAL COMPANY (CH) 1995-02-09 WO disclosed