SCHEMBL7430608

SCHEMBL7430608

COC(=O)[C@H](Cc1c[nH]c2ccccc12)NCC(=O)OC(C)(C)C

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 2/20 0.58
KMT2A Q03164 4/20 0.57
MEN1 O00255 3/20 0.57
HCRTR1 O43613 1/20 0.57
CTSL P07711 2/20 0.55
CTSS P25774 1/20 0.55
CTSK P43235 1/20 0.55
TDP1 Q9NUW8 1/20 0.53
MAPT P10636 2/20 0.52
TP53 P04637 1/20 0.52
ACE P12821 1/20 0.52
NPBWR1 P48145 1/20 0.52
MCHR1 Q99705 1/20 0.52
KCNA5 P22460 1/20 0.52
MIF P14174 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
SCHEMBL7430601 1.00 TACR1 (0.58) TACR1KMT2AMEN1HCRTR1CTSL
SCHEMBL6430686 0.94 TACR1 (0.56) TACR1KMT2AMEN1HCRTR1CTSL
SCHEMBL8553442 0.90 ACE (0.61) TACR1KMT2AMEN1CTSLCTSS
SCHEMBL7434878 0.90 ACE (0.61) TACR1KMT2AMEN1CTSLCTSS
SCHEMBL7433228 0.87 PKM (0.56) TACR1KMT2AMEN1HCRTR1CTSL
SCHEMBL7433229 0.87 PKM (0.56) TACR1KMT2AMEN1HCRTR1CTSL
SCHEMBL27332474 0.85 TACR1 (0.61) TACR1KMT2AMEN1HCRTR1CTSL
SCHEMBL30841400 0.85 TACR1 (0.61) TACR1KMT2AMEN1HCRTR1CTSL
SCHEMBL1631176 0.84 KMT2A (0.59) TACR1KMT2AMEN1HCRTR1TDP1
SCHEMBL5251038 0.84 TACR1 (0.78) TACR1KMT2AMEN1HCRTR1CTSL

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
EP-0640594-A1 Hydantoin derivative as metalloprotease inhibitor FUJIREBIO INC. (JP) 1995-03-01 EP disclosed