SCHEMBL7345567

SCHEMBL7345567

CC(C[CH]C(=O)NC(Cc1ccc(OCc2ccccc2)cc1)C(=O)Nc1ccc(N2CCCCC2)cc1)C(N)=O

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.48
NPC1 O15118 2/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
MAPT P10636 3/20 0.47
KDM4E B2RXH2 1/20 0.47
LTA4H P09960 1/20 0.46
TACR2 P21452 3/20 0.45
CTSL P07711 3/20 0.45
CTSK P43235 3/20 0.45
CTSB P07858 2/20 0.45
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
HTT P42858 1/20 0.44
MMP9 P14780 1/20 0.44
MMP8 P22894 1/20 0.44
PPARG P37231 1/20 0.44
HDAC8 Q9BY41 2/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 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
SCHEMBL7345065 0.87 HDAC8 (0.56) RAB9ANPC1SMN1; SMN2LTA4HMMP9
SCHEMBL7342788 0.87 NPC1 (0.54) RAB9ANPC1SMN1; SMN2LTA4HMMP9
SCHEMBL7336531 0.87 NPC1 (0.54) RAB9ANPC1SMN1; SMN2KDM4ELTA4H
SCHEMBL7348738 0.87 NPC1 (0.54) RAB9ANPC1SMN1; SMN2LTA4HMMP9
SCHEMBL7340293 0.86 NPC1 (0.52) RAB9ANPC1SMN1; SMN2LTA4HMMP9
SCHEMBL7336782 0.86 NPC1 (0.52) RAB9ANPC1SMN1; SMN2LTA4HMMP9
SCHEMBL7340426 0.85 NOX1 (0.54) RAB9ANPC1SMN1; SMN2LTA4HMMP9
SCHEMBL7340760 0.84 CACNA1B (0.50) PPARG
SCHEMBL7345571 0.83 LTA4H (0.52) RAB9ANPC1SMN1; SMN2MAPTKDM4E
SCHEMBL7337503 0.83 TACR2 (0.49) RAB9ANPC1SMN1; SMN2KDM4ETACR2

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