SCHEMBL9854705

SCHEMBL9854705

CC(C)C[C@H](NC(=O)CCc1cc2ccccc2c2ccccc12)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 2/20 0.50
FCER2 P06734 2/20 0.50
KISS1R Q969F8 5/20 0.49
REN P00797 1/20 0.49
PTPN1 P18031 3/20 0.48
HRH1 P35367 1/20 0.47
PARP1 P09874 1/20 0.47
PARP3 Q9Y6F1 1/20 0.47
PSMB5 P28074 1/20 0.45
TACR3 P29371 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
SCHEMBL9854731 0.85 FCER2 (0.52) MMP1FCER2KISS1RRENPTPN1
SCHEMBL9854702 0.84 KISS1R (0.67) KISS1R
SCHEMBL9854720 0.81 MMP2 (0.51) MMP1FCER2KISS1RRENPTPN1
SCHEMBL9854697 0.78 BACE1 (0.58) MMP1FCER2KISS1RRENPTPN1
SCHEMBL7442999 0.77 PSMB5 (0.60) MMP1FCER2KISS1RRENPTPN1
SCHEMBL9854712 0.76 REN (0.52) MMP1FCER2KISS1RRENPTPN1
SCHEMBL30721645 0.75 CCKBR (0.64) MMP1KISS1R
Hydrochloric Acid SCHEMBL9787692 0.75 FCER2 (0.60) MMP1FCER2RENPTPN1
SCHEMBL13363680 0.74 NPY4R (0.59) MMP1FCER2KISS1RRENPSMB5
SCHEMBL11569573 0.74 KISS1R (0.63) KISS1R

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