SCHEMBL9030004

SCHEMBL9030004

C/C=C/C=C/C(=O)N(CC)CC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
CA12 O43570 2/20 0.37
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37
CA4 P22748 2/20 0.37
CA9 Q16790 2/20 0.37
EHMT2 Q96KQ7 2/20 0.37
EHMT1 Q9H9B1 2/20 0.37
CYP3A4 P08684 3/20 0.35
TRPM8 Q7Z2W7 1/20 0.35
LMNA P02545 2/20 0.34
CNR2 P34972 6/20 0.33
CNR1 P21554 4/20 0.33
PPARG P37231 1/20 0.33
PPARD Q03181 1/20 0.33
PPARA Q07869 1/20 0.33
MMP1 P03956 1/20 0.33
MMP2 P08253 1/20 0.33
MMP3 P08254 1/20 0.33

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
SCHEMBL9030008 1.00 NPC1 (0.44) NPC1L3MBTL1CA12CA1CA2
SCHEMBL104713 0.83 NPC1 (0.48) NPC1L3MBTL1CA12CA1CA9
SCHEMBL104712 0.83 NPC1 (0.48) NPC1L3MBTL1CA12CA1CA9
SCHEMBL1395649 0.80 NPC1 (0.54) NPC1L3MBTL1CA12CA1CA2
SCHEMBL1022195 0.80 NPC1 (0.54) NPC1L3MBTL1CA12CA1CA2
SCHEMBL1630772 0.80 NPC1 (0.54) NPC1L3MBTL1CA12CA1CA2
SCHEMBL4787589 0.73 NPC1 (0.48) NPC1L3MBTL1CA12CA1CA2
SCHEMBL10505799 0.73 CHRNB2 (0.39) CNR2CNR1PPARGPPARDPPARA
SCHEMBL10505809 0.73 CHRNB2 (0.39) CNR2CNR1PPARGPPARDPPARA
SCHEMBL15931520 0.73 NPC1 (0.48) NPC1L3MBTL1CA12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0609289-B1 IMIDAZOLE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME UPJOHN CO (US) 1996-07-17 EP disclosed
US-5442062-A Treating hypertension, congestive heart failure THE UPJOHN COMPANY (US) 1995-08-15 US disclosed
EP-0609289-A1 IMIDAZOLE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME. UPJOHN CO (US) 1994-08-10 EP disclosed
WO-1994017069-A1 PYRAZOLE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS THEREOF THE UPJOHN COMPANY (US) 1994-08-04 WO disclosed
EP-0540209-A1 Imidazole derivatives and pharmaceutical compositions containing the same THE UPJOHN COMPANY (US) 1993-05-05 EP disclosed
WO-1993008193-A1 IMIDAZOLE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME THE UPJOHN COMPANY (US) 1993-04-29 WO disclosed