SCHEMBL7344645

SCHEMBL7344645

CC(C)CC(N)C(=O)NC(Cc1ccc(NCc2ccccc2)cc1)C(=O)NC(C)(C)C

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 6/20 0.48
MMP2 P08253 6/20 0.48
MMP3 P08254 5/20 0.48
MMP8 P22894 5/20 0.47
CACNA1B Q00975 2/20 0.47
PSMB5 P28074 2/20 0.46
FCER2 P06734 2/20 0.45
MMP9 P14780 4/20 0.45
KMT2A Q03164 1/20 0.45
MMP7 P09237 2/20 0.44

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) MMP1MMP2MMP3MMP8CACNA1B
SCHEMBL7343134 0.88 MMP1 (0.52) MMP1MMP2MMP3MMP8CACNA1B
SCHEMBL7340728 0.83 CACNA1B (0.48) MMP1MMP2MMP3MMP8CACNA1B
SCHEMBL7337048 0.83 CACNA1B (0.48) MMP1MMP2MMP3CACNA1BPSMB5
SCHEMBL7341162 0.83 PTPN1 (0.47) MMP1MMP2MMP3MMP8CACNA1B
SCHEMBL7338162 0.83 MME (0.56) MMP8CACNA1BMMP9
SCHEMBL7370971 0.82 FFAR1 (0.51) KMT2A
SCHEMBL7337022 0.81 CACNA1B (0.53) CACNA1BPSMB5
SCHEMBL20815883 0.81 LTA4H (0.54) MMP1MMP2MMP3FCER2
SCHEMBL8190116 0.80 PSMB5 (0.44) MMP1MMP2MMP3MMP8CACNA1B

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