SCHEMBL7344259

SCHEMBL7344259

CC(C[CH]C(=O)NC(Cc1ccc(OCc2ccccc2)cc1)C(=O)Nc1cccnc1)C(N)=O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
PPARG P37231 3/20 0.48
MMP1 P03956 1/20 0.48
GPR132 Q9UNW8 1/20 0.47
RAB9A P51151 4/20 0.47
NPC1 O15118 2/20 0.47
MMP9 P14780 1/20 0.47
MMP8 P22894 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.46
MMP2 P08253 1/20 0.45
LTA4H P09960 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
ACACB O00763 1/20 0.44
PLG P00747 1/20 0.43
LRRK2 Q5S007 1/20 0.43
MME P08473 1/20 0.43
ACE P12821 1/20 0.43
CPA1 P15085 1/20 0.43
ACE2 Q9BYF1 1/20 0.43

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
SCHEMBL7020179 0.91 MMP2 (0.51) MMP1RAB9ASMN1; SMN2MMP2HTT
SCHEMBL7342497 0.87 MMP9 (0.48) PPARGRAB9ANPC1MMP9MMP8
SCHEMBL7336531 0.86 NPC1 (0.54) MEN1KMT2APPARGRAB9ANPC1
SCHEMBL7345065 0.86 HDAC8 (0.56) PPARGMMP1RAB9ANPC1MMP9
SCHEMBL7348738 0.86 NPC1 (0.54) MEN1KMT2APPARGRAB9ANPC1
SCHEMBL7342788 0.86 NPC1 (0.54) MEN1KMT2APPARGRAB9ANPC1
SCHEMBL7340293 0.85 NPC1 (0.52) MEN1KMT2APPARGRAB9ANPC1
SCHEMBL7336782 0.85 NPC1 (0.52) PPARGRAB9ANPC1MMP9MMP8
SCHEMBL7340426 0.84 NOX1 (0.54) PPARGMMP1RAB9ANPC1MMP9
SCHEMBL7344073 0.84 PPARG (0.62) PPARGRAB9ANPC1MMP9MMP8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6423689-B1 Peptidyl calcium channel blockers WARNER-LAMBERT COMPANY 2002-07-23 US claimed
US-6423689-B1 Peptidyl calcium channel blockers WARNER-LAMBERT COMPANY 2002-07-23 US disclosed