SCHEMBL9852737

SCHEMBL9852737

CCNC(=O)N[C@H](C=O)Cc1cccc2ccccc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 1/20 0.48
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
CAPN1 P07384 1/20 0.47
ANPEP P15144 1/20 0.46
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
MAPT P10636 1/20 0.46
MTNR1A P48039 1/20 0.46
OPRM1 P35372 1/20 0.45
MMP9 P14780 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
CTSS P25774 1/20 0.44
CTSK P43235 1/20 0.44
MMP8 P22894 1/20 0.44
MMP14 P50281 1/20 0.44
CTSL P07711 1/20 0.44

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
SCHEMBL2544632 0.86 CTNNB1 (0.52) CASP1MMEACECPA1ACE2
SCHEMBL2269291 0.85 TACR1 (0.51) CASP1MMEACECPA1ACE2
SCHEMBL2270111 0.85 TACR1 (0.51) CASP1MMEACECPA1ACE2
SCHEMBL7445998 0.80 CAPN1 (0.55) ACECAPN1CTSKCTSL
SCHEMBL9852735 0.79 ANPEP (0.49) MMEACECPA1ACE2CTNNB1
SCHEMBL25660784 0.79 CTNNB1 (0.45) CASP1CTNNB1KMT2AMTNR1AMMP9
SCHEMBL9631575 0.79 CTNNB1 (0.45) CASP1CTNNB1KMT2AMTNR1AMMP9
SCHEMBL9727662 0.79 CTNNB1 (0.45) CASP1CTNNB1KMT2AMTNR1AMMP9
SCHEMBL10477668 0.78 CASP1 (0.54) CASP1CAPN1HRH4
SCHEMBL6443453 0.75 ATM (0.44) MMEACECPA1ACE2CTNNB1

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-0417454-A2 Reduced size LHRH analogs ABBOTT LABORATORIES (US) 1991-03-20 EP claimed