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SCHEMBL25028335

SCHEMBL25028335

N=C(N)NCCCC1NC(=O)C(CCCCNC(=O)C(C(C(=O)O)P(c2ccccc2)c2ccccc2)P(c2ccccc2)c2ccccc2)NC(=O)[C@@H](Cc2ccccc2)NC(=O)C(CC(=O)O)NC(=O)CNC1O

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ITGB3 P05106 11/20 0.41
▸ ITGAV P06756 11/20 0.41
▸ ITGB1 P05556 2/20 0.41
▸ ITGA5 P08648 2/20 0.41
▸ ITGB5 P18084 8/20 0.41
▸ MC4R P32245 9/20 0.41
▸ MC5R P33032 9/20 0.41
▸ MC3R P41968 9/20 0.41
▸ MC1R Q01726 9/20 0.41

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
SCHEMBL20227423 0.86 ITGB3 (0.46) ITGB3ITGAVITGB1ITGA5ITGB5
SCHEMBL18293541 0.80 FURIN (0.40) ITGB3ITGAVITGB1ITGA5ITGB5
SCHEMBL20888358 0.77 ITGB3 (0.58) ITGB3ITGAVITGB1ITGA5ITGB5
SCHEMBL21766911 0.77 ITGB3 (0.58) ITGB3ITGAVITGB1ITGA5ITGB5
SCHEMBL19605458 0.77 ITGB3 (0.58) ITGB3ITGAVITGB1ITGA5ITGB5
SCHEMBL22807688 0.76 ITGB3 (0.53) ITGB3ITGAVITGB1ITGA5ITGB5
SCHEMBL20754200 0.76 ITGB3 (0.53) ITGB3ITGAVITGB1ITGA5ITGB5
SCHEMBL24285403 0.76 ITGB3 (0.53) ITGB3ITGAVITGB1ITGA5ITGB5
SCHEMBL22758169 0.76 ITGB3 (0.53) ITGB3ITGAVITGB1ITGA5ITGB5
SCHEMBL23776309 0.76 CTSD (0.43) ITGB3ITGAVITGB1ITGA5ITGB5

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-2023017101-A2 DIPHOSPHINE COMPOUNDS AND COMPLEXES CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2023-02-16 — — WO disclosed
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