SCHEMBL7344263

SCHEMBL7344263

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

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
LTA4H P09960 4/20 0.50
GPR132 Q9UNW8 1/20 0.50
RAB9A P51151 4/20 0.49
NPC1 O15118 2/20 0.49
MMP9 P14780 1/20 0.49
MMP8 P22894 1/20 0.49
MMP1 P03956 1/20 0.48
IL1RN P18510 1/20 0.48
ERAP2 Q6P179 1/20 0.48
ERAP1 Q9NZ08 1/20 0.48
MME P08473 1/20 0.48
ACE P12821 1/20 0.48
CPA1 P15085 1/20 0.48
ACE2 Q9BYF1 1/20 0.48
HDAC8 Q9BY41 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
ACACB O00763 1/20 0.47
AAK1 Q2M2I8 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
SCHEMBL7342507 0.86 LTA4H (0.52) LTA4HRAB9ANPC1MMP9MMP8
SCHEMBL7348742 0.85 LTA4H (0.59) MEN1KMT2ALTA4HRAB9ANPC1
SCHEMBL7345070 0.85 HDAC8 (0.60) LTA4HRAB9ANPC1MMP1IL1RN
SCHEMBL7336536 0.85 LTA4H (0.59) MEN1KMT2ALTA4HRAB9ANPC1
SCHEMBL7342789 0.85 LTA4H (0.58) MEN1KMT2ALTA4HRAB9ANPC1
SCHEMBL7340297 0.84 LTA4H (0.57) MEN1KMT2ALTA4HRAB9ANPC1
SCHEMBL7336784 0.84 LTA4H (0.57) KMT2ALTA4HRAB9ANPC1MMP9
SCHEMBL7345344 0.84 PSMB5 (0.59) MEN1KMT2APSMB11PSMA7PSMB1
SCHEMBL7340430 0.83 NOX1 (0.58) KMT2ALTA4HRAB9ANPC1MMP9
SCHEMBL7337296 0.82 HSPA5 (0.58) LTA4HRAB9ANPC1MMP9MMP8

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