SCHEMBL9854702

SCHEMBL9854702

CC(C)C[C@H](NC(=O)CCc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O

nearest known ligand 0.67

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KISS1R Q969F8 8/20 0.67
CCKBR P32239 4/20 0.59
ECE1 P42892 2/20 0.57
CTSD P07339 1/20 0.56
ERAP2 Q6P179 2/20 0.55
IL1RN P18510 1/20 0.54
ERAP1 Q9NZ08 1/20 0.54

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
SCHEMBL30721645 0.89 CCKBR (0.64) KISS1RCCKBRECE1
SCHEMBL9854726 0.88 CCKBR (0.66) KISS1RCCKBR
SCHEMBL11569573 0.88 KISS1R (0.63) KISS1RCCKBRECE1ERAP2IL1RN
SCHEMBL10380385 0.87 GHSR (0.60) KISS1RCCKBR
SCHEMBL9854705 0.84 MMP1 (0.50) KISS1R
SCHEMBL2494516 0.82 KISS1R (0.73) KISS1R
Desglugastrin SCHEMBL30390255 0.82 CCKBR (0.69) CCKBR
Desglugastrin SCHEMBL1371702 0.82 CCKBR (0.69) CCKBR
Hydrochloric Acid SCHEMBL10419482 0.82 KISS1R (0.68) KISS1RECE1
SCHEMBL30307612 0.82 OPRM1 (0.67) KISS1RCCKBR

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