SCHEMBL19381804

SCHEMBL19381804

CC(C)C(=O)NCC(=O)NC(C)C(=O)NCC(=O)N1C[C@@H](O)CC1C(=O)N1CCCC1C(=O)NC(Cc1ccc(O)cc1)C(N)=O

nearest known ligand 0.51

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ VHL P40337 2/20 0.51
▸ OPRM1 P35372 2/20 0.43
▸ OPRD1 P41143 2/20 0.43
▸ XIAP P98170 1/20 0.42

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
SCHEMBL16925966 0.94 VHL (0.52) VHLOPRM1OPRD1
SCHEMBL29373528 0.94 VHL (0.52) VHLOPRM1OPRD1
SCHEMBL19381670 0.94 VHL (0.52) VHLOPRM1OPRD1
SCHEMBL16925995 0.90 VHL (0.46) VHLOPRM1OPRD1
SCHEMBL16925967 0.90 VHL (0.49) VHLOPRM1OPRD1
SCHEMBL19381684 0.89 VHL (0.48) VHLOPRM1OPRD1
SCHEMBL16925994 0.88 VHL (0.44) VHLOPRM1OPRD1
SCHEMBL16925974 0.86 VHL (0.44) VHLOPRM1OPRD1
SCHEMBL16925968 0.84 VHL (0.44) VHLOPRM1OPRD1
SCHEMBL16925996 0.78 VHL (0.47) VHLOPRM1OPRD1

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
US-9764048-B2 Targeted molecular imaging probe and method for in vivo molecular imaging SHEN BAOZHONG (CN) 2017-09-19 — — US disclosed
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