SCHEMBL8201111

SCHEMBL8201111

CC(NC(=O)C(NC(=O)O)C(C)c1c[nH]c2ccccc12)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MMP9 P14780 2/20 0.53
MMP8 P22894 2/20 0.53
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
MMP2 P08253 1/20 0.47
CYP2D6 P10635 1/20 0.46
SLC6A2 P23975 1/20 0.46
SLC6A4 P31645 1/20 0.46
KCNH2 Q12809 1/20 0.46
NOD2 Q9HC29 1/20 0.46
MGAM O43451 1/20 0.45
GAA P10253 1/20 0.45
SI P14410 1/20 0.45
MGAM2 Q2M2H8 1/20 0.45
ECE1 P42892 5/20 0.45

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
SCHEMBL7563351 0.84 MMP9 (0.56) MMP9MMP8MEN1KMT2AMMP2
SCHEMBL7856260 0.80 MMP9 (0.52) MMP9MMP8MEN1KMT2AMMP2
SCHEMBL6394945 0.79 GPR84 (0.54) MEN1KMT2ANOD2MGAMGAA
SCHEMBL8201153 0.78 MMP9 (0.80) MMP9MMP8MEN1KMT2AMMP2
SCHEMBL8850370 0.78 MMP9 (0.80) MMP9MMP8MEN1KMT2AMMP2
SCHEMBL8201151 0.78 MMP9 (0.80) MMP9MMP8MEN1KMT2AMMP2
SCHEMBL7851600 0.76 MEN1 (0.52) MMP9MMP8MEN1KMT2AMMP2
SCHEMBL8700164 0.76 ALOX15 (0.48) MEN1KMT2ACYP2D6SLC6A2SLC6A4
SCHEMBL8711954 0.76 ALOX15 (0.48) MEN1KMT2ACYP2D6SLC6A2SLC6A4
SCHEMBL8573522 0.76 GPR84 (0.50) MEN1KMT2ACYP2D6SLC6A2SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1000930-A2 Tachykinin antagonists WARNER-LAMBERT COMPANY (US) 2000-05-17 EP disclosed
US-5594022-A CARBAMATES WARNER-LAMBERT COMPANY (US) 1997-01-14 US disclosed
EP-0655055-A1 TACHYKININ ANTAGONISTS WARNER-LAMBERT COMPANY (US) 1995-05-31 EP disclosed
WO-1994004494-A1 TACHYKININ ANTAGONISTS WARNER-LAMBERT COMPANY (US) 1994-03-03 WO disclosed