SCHEMBL7337462

SCHEMBL7337462

CC(C[CH]C(=O)NC(Cc1ccc(CCC2CCCCC2)cc1)C(=O)NC(C)(C)C)C(N)=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
REN P00797 3/20 0.38
CACNA1B Q00975 1/20 0.37
MMP1 P03956 3/20 0.36
MMP2 P08253 2/20 0.36
MMP3 P08254 1/20 0.36
BCHE P06276 1/20 0.36
MME P08473 2/20 0.35
ACE P12821 1/20 0.35
CPA1 P15085 1/20 0.35
ACE2 Q9BYF1 1/20 0.35
PSMB5 P28074 1/20 0.35
NMT2 O60551 1/20 0.34
NMT1 P30419 1/20 0.34
SRC P12931 3/20 0.34
PSEN1 P49768 1/20 0.34
PSEN2 P49810 1/20 0.34
APH1B Q8WW43 1/20 0.34
NCSTN Q92542 1/20 0.34
APH1A Q96BI3 1/20 0.34
PSENEN Q9NZ42 1/20 0.34

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
SCHEMBL7347656 0.86 CACNA1B (0.36) RENCACNA1BMMP1MMP3MME
SCHEMBL7339993 0.85 CACNA1B (0.35) RENCACNA1BPSMB5USP30
SCHEMBL7348064 0.84 CTSL (0.42) RENCACNA1BMMP1MMP2MMP3
SCHEMBL7347209 0.84 FFAR1 (0.41) RENCACNA1BPSMB5
SCHEMBL7344635 0.84 MMP1 (0.36) CACNA1BMMP1MMP2MMP3
SCHEMBL7337630 0.81 LMNA (0.36) CACNA1BMMP1MMP2MMP3MME
SCHEMBL7343130 0.81 CTSL (0.42) RENCACNA1BMMP1MMP2MMP3
SCHEMBL7337467 0.80 CACNA1B (0.47) RENCACNA1BMMP1MMP2MMP3
SCHEMBL7340724 0.79 PPARG (0.43) CACNA1BMMP1
SCHEMBL7348620 0.79 NOS2 (0.37) CACNA1BMMP1MMP2MMP3

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