SCHEMBL7340728

SCHEMBL7340728

CC(C)CC(N)C(=O)NC(Cc1ccc(C=Cc2ccccc2)cc1)C(=O)NC(C)(C)C

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 2/20 0.48
MMP2 P08253 10/20 0.47
MMP1 P03956 9/20 0.47
MMP3 P08254 8/20 0.47
MMP8 P22894 5/20 0.44
MME P08473 1/20 0.44
ACE P12821 1/20 0.44
CPA1 P15085 1/20 0.44
ACE2 Q9BYF1 1/20 0.44
BACE1 P56817 1/20 0.44
MMP9 P14780 4/20 0.44
FCER2 P06734 3/20 0.43
MMP7 P09237 2/20 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
SCHEMBL7348068 0.88 PSMB5 (0.51) CACNA1BMMP2MMP1MMP3MMP8
SCHEMBL7343134 0.88 MMP1 (0.52) CACNA1BMMP2MMP1MMP3MMP8
SCHEMBL7337048 0.85 CACNA1B (0.48) CACNA1BMMP2MMP1MMP3MME
SCHEMBL7339998 0.84 CACNA1B (0.44) CACNA1BMMP2MMP1MMP3
SCHEMBL7344645 0.83 MMP1 (0.48) CACNA1BMMP2MMP1MMP3MMP8
SCHEMBL7348626 0.83 MMP1 (0.43) CACNA1BMMP2MMP1MMP3
SCHEMBL7341162 0.82 PTPN1 (0.47) CACNA1BMMP2MMP1MMP3MMP8
SCHEMBL7338162 0.82 MME (0.56) CACNA1BMMP8MMEACECPA1
SCHEMBL7347666 0.81 CACNA1B (0.46) CACNA1BMMP2MMP1MMP3MME
SCHEMBL20815883 0.80 LTA4H (0.54) MMP2MMP1MMP3MMEFCER2

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