SCHEMBL31410874

SCHEMBL31410874

CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCNC(=N)N)[C@@H](C)O)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
RAMP3 O60896 11/20 0.53
CALCR P30988 11/20 0.53
NTSR2 O95665 6/20 0.52
NTSR1 P30989 6/20 0.52
SORT1 Q99523 6/20 0.52
CAPN1 P07384 2/20 0.52
PLK1 P53350 1/20 0.50

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
SCHEMBL31307235 0.91 RAMP3 (0.57) RAMP3CALCRCAPN1
SCHEMBL30320583 0.90 RAMP3 (0.52) RAMP3CALCRCAPN1
SCHEMBL30633109 0.90 NTSR2 (0.53) RAMP3CALCRNTSR2NTSR1SORT1
SCHEMBL30345181 0.89 NTSR2 (0.47) RAMP3CALCRNTSR2NTSR1SORT1
SCHEMBL30185743 0.88 KDM1A (0.53) RAMP3CALCR
SCHEMBL30745227 0.88 NTSR2 (0.49) RAMP3CALCRNTSR2NTSR1SORT1
SCHEMBL31621423 0.88 CAPN1 (0.52) RAMP3CALCRCAPN1PLK1
SCHEMBL29788329 0.88 NTSR2 (0.51) NTSR2NTSR1SORT1
SCHEMBL30799203 0.88 MAPK8 (0.49) RAMP3CALCRNTSR2NTSR1SORT1
SCHEMBL29886739 0.87 CAPN1 (0.48) RAMP3CALCRNTSR2NTSR1SORT1

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
WO-2025002589-A1 TISSUE EXTRACELLULAR PEPTIDE PATTERNS DEDICATED FOR GENERATION OF ANTI-CANCER VACCINES AGAINST SALIVARY GLAND TUMOR, IDENTIFICATION AND ISOLATION OF SALIVARY GLAND TUMOR SPECIFIC T CELLS IN HUMANS Uniwersytet Gdański (PL) 2025-01-02 WO disclosed