SCHEMBL9854720

SCHEMBL9854720

CC(C)C[C@H](NC(=O)CCc1cnc2ccccc2c1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 1/20 0.51
MMP9 P14780 1/20 0.51
MMP8 P22894 1/20 0.51
MMP1 P03956 2/20 0.48
FCER2 P06734 2/20 0.48
REN P00797 4/20 0.48
KISS1R Q969F8 2/20 0.48
PARP1 P09874 1/20 0.47
PARP3 Q9Y6F1 1/20 0.47
PTPN1 P18031 4/20 0.46
HRH1 P35367 1/20 0.44
TACR3 P29371 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
SCHEMBL9854731 0.87 FCER2 (0.52) MMP2MMP9MMP8MMP1FCER2
SCHEMBL9854705 0.81 MMP1 (0.50) MMP1FCER2RENKISS1RPARP1
SCHEMBL9854702 0.76 KISS1R (0.67) KISS1R
SCHEMBL7442999 0.75 PSMB5 (0.60) MMP2MMP1FCER2RENKISS1R
SCHEMBL9854712 0.75 REN (0.52) MMP1FCER2RENKISS1RPTPN1
Hydrochloric Acid SCHEMBL9787692 0.73 FCER2 (0.60) MMP1FCER2RENPTPN1
SCHEMBL9854697 0.73 BACE1 (0.58) MMP1FCER2RENKISS1RPTPN1
SCHEMBL13363680 0.73 NPY4R (0.59) MMP1FCER2RENKISS1R
SCHEMBL2846347 0.72 MGAM (0.54)
SCHEMBL24725085 0.72 KISS1R (0.55) MMP8MMP1FCER2RENKISS1R

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-0405506-A1 Tetrapeptide type-B CCK receptor ligands ABBOTT LABORATORIES (US) 1991-01-02 EP disclosed