SCHEMBL7344635

SCHEMBL7344635

CC(C[CH]C(=O)NC(Cc1ccc(CCC2(O)CCCCC2)cc1)C(=O)NC(C)(C)C)C(N)=O

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 5/20 0.36
CACNA1B Q00975 2/20 0.36
MMP2 P08253 1/20 0.32
MMP3 P08254 1/20 0.32
GRB2 P62993 2/20 0.31
MC4R P32245 2/20 0.30
MC5R P33032 2/20 0.30
MC3R P41968 1/20 0.30

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 0.85 CACNA1B (0.36) MMP1CACNA1BMMP3
SCHEMBL7348620 0.84 NOS2 (0.37) MMP1CACNA1BMMP2MMP3
SCHEMBL7337462 0.84 REN (0.38) MMP1CACNA1BMMP2MMP3
SCHEMBL7345788 0.83 ALDH1A1 (0.42) MMP1CACNA1BMMP2MMP3
SCHEMBL7348064 0.83 CTSL (0.42) MMP1CACNA1BMMP2MMP3
SCHEMBL7337630 0.80 LMNA (0.36) MMP1CACNA1BMMP2MMP3
SCHEMBL7344639 0.80 CACNA1B (0.45) MMP1CACNA1BMMP2MMP3
SCHEMBL7343130 0.79 CTSL (0.42) MMP1CACNA1BMMP2MMP3
SCHEMBL7339993 0.78 CACNA1B (0.35) CACNA1BMC4RMC5RMC3R
SCHEMBL7340724 0.78 PPARG (0.43) MMP1CACNA1B

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