SCHEMBL26189977

SCHEMBL26189977

CCC(C)C(NC(=O)CNC(=O)CNC(=O)CC(NC(=O)C(CCCCN)NC(=O)C(C)N)C(=O)N1CCCCC1)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CPB2 Q96IY4 2/20 0.41
▸ ITGB3 P05106 6/20 0.39
▸ ITGA2B P08514 6/20 0.39
▸ OPRD1 P41143 5/20 0.36
▸ OPRK1 P41145 1/20 0.35
▸ XIAP P98170 1/20 0.35

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
SCHEMBL24504160 0.88 NTSR1 (0.48) OPRD1OPRK1
SCHEMBL24517136 0.81 NTSR1 (0.49) OPRD1OPRK1
SCHEMBL24504159 0.78 F2 (0.49) OPRD1
SCHEMBL31275692 0.76 ENPEP (0.46) CPB2
SCHEMBL31253362 0.73 CPB2 (0.55) CPB2
SCHEMBL26189968 0.72 OPRD1 (0.36) CPB2OPRD1OPRK1
SCHEMBL31275094 0.72 CPB2 (0.49) CPB2
SCHEMBL31174186 0.71 CPB2 (0.47) CPB2
SCHEMBL31174191 0.71 CPB2 (0.47) CPB2
SCHEMBL30272485 0.70 CPB2 (0.44) CPB2

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-4011901-B1 METHOD FOR THE FMOC GROUP CLEAVAGE FRESENIUS KABI IPSUM S R L (IT) 2023-08-30 — — EP disclosed
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