SCHEMBL29973046

SCHEMBL29973046

CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CN)[C@@H](C)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O

nearest known ligand 0.62

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ KISS1R Q969F8 15/20 0.62
▸ IL23R Q5VWK5 1/20 0.57
▸ GLP1R P43220 2/20 0.56
▸ OPRM1 P35372 2/20 0.56
▸ OPRD1 P41143 2/20 0.56

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
Wtlnsagyll SCHEMBL29682704 0.93 OPRM1 (0.64) KISS1ROPRM1OPRD1
SCHEMBL30622601 0.91 KISS1R (0.58) KISS1RIL23R
SCHEMBL31232499 0.91 GLP1R (0.68) KISS1RGLP1R
SCHEMBL30906555 0.90 GLP1R (0.68) KISS1RIL23RGLP1R
SCHEMBL30973913 0.90 NPBWR1 (0.65) KISS1ROPRM1OPRD1
SCHEMBL30906506 0.90 GLP1R (0.68) KISS1RIL23RGLP1R
SCHEMBL30906510 0.89 GLP1R (0.67) KISS1RIL23RGLP1R
SCHEMBL30429448 0.88 GALR2 (0.62) KISS1RGLP1R
SCHEMBL30906532 0.88 GLP1R (0.71) KISS1RIL23RGLP1R
SCHEMBL31683311 0.88 GLP1R (0.67) IL23RGLP1R

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-4067370-A1 HIGH PENETRATION PRODRUG COMPOSITIONS OF PEPTIDES AND PEPTIDE RELATED COMPOUNDS Yu, Chongxi (US) 2022-10-05 — — EP disclosed
Send feedback