SCHEMBL7345571

SCHEMBL7345571

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

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 5/20 0.52
CTSL P07711 2/20 0.51
CTSK P43235 2/20 0.51
KMT2A Q03164 1/20 0.51
MAPT P10636 2/20 0.50
KDM4E B2RXH2 1/20 0.50
TACR2 P21452 3/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
CACNA1B Q00975 1/20 0.48
CTSB P07858 1/20 0.47
ALDH1A1 P00352 1/20 0.47
LMNA P02545 1/20 0.47
HTT P42858 1/20 0.47
MMP9 P14780 1/20 0.47
MMP8 P22894 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
SCHEMBL7344689 0.89 CACNA1B (0.59) CTSLCTSKMAPTKDM4ECACNA1B
SCHEMBL7336536 0.87 LTA4H (0.59) LTA4HKMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL7345070 0.87 HDAC8 (0.60) LTA4HCTSKNPC1RAB9ASMN1; SMN2
SCHEMBL7348742 0.87 LTA4H (0.59) LTA4HKMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL7342789 0.86 LTA4H (0.58) LTA4HKMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL7336784 0.85 LTA4H (0.57) LTA4HKMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL7340297 0.85 LTA4H (0.57) LTA4HKMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL7340430 0.84 NOX1 (0.58) LTA4HKMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL7340762 0.84 CACNA1B (0.59) CACNA1B
SCHEMBL7345567 0.83 RAB9A (0.48) LTA4HCTSLCTSKKMT2AMAPT

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