SCHEMBL29975855

SCHEMBL29975855

NC(=O)CC[C@H](NC(=O)[C@@H]1CCC(=O)N1)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 7/20 0.52

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
SCHEMBL27831208 0.96 ITGB2 (0.52)
SCHEMBL31245467 0.90 CCKBR (0.55) CCKBR
SCHEMBL27849701 0.88 ITGB2 (0.54) CCKBR
Dl-Tryptophan SCHEMBL27935802 0.87 MEN1 (0.54) CCKBR
SCHEMBL642928 0.86 ITGB2 (0.63)
SCHEMBL11197636 0.86 ITGB2 (0.63)
SCHEMBL11201374 0.86 ITGB2 (0.63)
SCHEMBL27765550 0.86 ITGB2 (0.63)
SCHEMBL2790097 0.86 ITGB2 (0.63)
SCHEMBL27765546 0.86 ITGB2 (0.63)

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4330228-A1 G-ALPHA-S INHIBITORS AND USES THEREOF The Regents of the University of California (US) 2024-03-06 EP disclosed
WO-2022232142-A1 G-ALPHA-S INHIBITORS AND USES THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2022-11-03 WO disclosed