SCHEMBL6922401

SCHEMBL6922401

CCCC(CCC)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)N(C)C#N

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CTSL P07711 2/20 0.61
MMP9 P14780 7/20 0.55
MMP8 P22894 7/20 0.55
MMP2 P08253 5/20 0.55
MMP14 P50281 1/20 0.54
CCKBR P32239 1/20 0.53
TACR1 P25103 1/20 0.52
MMP1 P03956 1/20 0.52
MMP3 P08254 1/20 0.52
ECE1 P42892 3/20 0.51
ACE P12821 1/20 0.51

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
SCHEMBL6023409 0.84 MMP9 (0.61) CTSLMMP9MMP8MMP2MMP14
SCHEMBL6019223 0.84 MMP9 (0.58) CTSLMMP9MMP8MMP2MMP14
SCHEMBL31036035 0.83 ACE (0.71) CTSLECE1ACE
SCHEMBL6020973 0.83 MMP9 (0.55) CTSLMMP9MMP8MMP14CCKBR
SCHEMBL6020256 0.83 CTSL (0.71) CTSLMMP9MMP8MMP14CCKBR
SCHEMBL5526318 0.83 CTSL (0.71) CTSLMMP9MMP8MMP14CCKBR
SCHEMBL6021223 0.82 MMP9 (0.56) CTSLMMP9MMP8MMP2MMP14
SCHEMBL6020520 0.82 CCKBR (0.55) CTSLMMP9MMP8MMP14CCKBR
SCHEMBL6021321 0.81 MMP9 (0.55) CTSLMMP9MMP8MMP2MMP14
SCHEMBL6020814 0.81 CCKBR (0.56) CTSLMMP9MMP8MMP2MMP14

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2004056755-A2 COMPOUNDS FOR THE INHIBITION OF NON-PROTEOLYTIC ENZYMES JERENI AG (DE) 2004-07-08 WO claimed