SCHEMBL8944896

SCHEMBL8944896

CC(=O)NC([C]=O)Cc1cccc2ccccc12

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 1/20 0.51
MME P08473 1/20 0.48
ACE P12821 1/20 0.48
CPA1 P15085 1/20 0.48
ACE2 Q9BYF1 1/20 0.48
CTNNB1 P35222 1/20 0.48
MMP9 P14780 3/20 0.47
CTSS P25774 1/20 0.46
CTSK P43235 1/20 0.46
MMP8 P22894 2/20 0.46
MMP14 P50281 1/20 0.46
HRH4 Q9H3N8 1/20 0.46
MMP2 P08253 1/20 0.46
ACACB O00763 1/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
ANPEP P15144 1/20 0.43

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
SCHEMBL2269285 1.00 TACR1 (0.51) TACR1MMEACECPA1ACE2
SCHEMBL9852735 0.85 ANPEP (0.49) MMEACECPA1ACE2CTNNB1
SCHEMBL9727658 0.82 CTNNB1 (0.45) MMEACECPA1ACE2CTNNB1
SCHEMBL9631571 0.82 CTNNB1 (0.45) MMEACECPA1ACE2CTNNB1
SCHEMBL27922304 0.81 ACACB (0.57) TACR1MMEACECPA1ACE2
SCHEMBL27922307 0.81 ACACB (0.57) TACR1MMEACECPA1ACE2
SCHEMBL7856008 0.80 ACACB (0.44) CTSSACACBMEN1KMT2A
SCHEMBL2761181 0.79 MME (0.63) TACR1MMEACECPA1ACE2
SCHEMBL8673871 0.79 MME (0.63) TACR1MMEACECPA1ACE2
SCHEMBL3659382 0.79 MME (0.63) TACR1MMEACECPA1ACE2

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-5508383-A Cyclic peptide LHRH antagonists TAP HOLDINGS INC. (US) 1996-04-16 US disclosed
WO-1995024424-A1 CYCLIC PEPTIDE LHRH ANTAGONISTS ABBOTT LABORATORIES (US) 1995-09-14 WO disclosed