SCHEMBL7340430

SCHEMBL7340430

CC(C)CC(N)C(=O)NC(Cc1ccc(OCc2ccccc2)cc1)C(=O)Nc1ccc(N(C)C)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOX1 Q9Y5S8 1/20 0.58
LTA4H P09960 6/20 0.56
NPC1 O15118 1/20 0.52
RAB9A P51151 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
MMP9 P14780 1/20 0.50
MMP8 P22894 1/20 0.50
IL1RN P18510 1/20 0.49
ERAP2 Q6P179 1/20 0.49
ERAP1 Q9NZ08 1/20 0.49
HDAC8 Q9BY41 3/20 0.49
MME P08473 1/20 0.48
ACE P12821 1/20 0.48
CPA1 P15085 1/20 0.48
ACE2 Q9BYF1 1/20 0.48
KMT2A Q03164 1/20 0.48
MMP1 P03956 1/20 0.48
F7 P08709 1/20 0.47
HDAC3 O15379 1/20 0.47
HDAC4 P56524 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
SCHEMBL7336536 0.90 LTA4H (0.59) LTA4HNPC1RAB9ASMN1; SMN2MMP9
SCHEMBL7345070 0.90 HDAC8 (0.60) LTA4HNPC1RAB9ASMN1; SMN2IL1RN
SCHEMBL7348742 0.90 LTA4H (0.59) LTA4HNPC1RAB9ASMN1; SMN2MMP9
SCHEMBL7342789 0.89 LTA4H (0.58) LTA4HNPC1RAB9ASMN1; SMN2MMP9
SCHEMBL7340297 0.88 LTA4H (0.57) LTA4HNPC1RAB9ASMN1; SMN2MMP9
SCHEMBL7336784 0.88 LTA4H (0.57) LTA4HNPC1RAB9ASMN1; SMN2MMP9
SCHEMBL7342507 0.85 LTA4H (0.52) LTA4HNPC1RAB9ASMN1; SMN2MMP9
SCHEMBL7345571 0.84 LTA4H (0.52) LTA4HNPC1RAB9ASMN1; SMN2MMP9
SCHEMBL7336922 0.83 CACNA1B (0.62) NOX1
SCHEMBL7344263 0.83 MEN1 (0.55) LTA4HNPC1RAB9ASMN1; SMN2MMP9

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 1 patent. 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