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Sugi Predict / Compounds / SCHEMBL16351228

SCHEMBL16351228

SCHEMBL16351228

CCCCC[C@H](NC(=O)C(NC(=O)CNC(=O)COC)C(C)O)C(=O)N1CCC[C@H]1C(=O)N1CCCC1C(=O)N[C@H](CCCNC(C)=N)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ RAMP3 O60896 14/20 0.41
▸ CALCR P30988 14/20 0.41
▸ APLNR P35414 1/20 0.41
▸ GRB2 P62993 1/20 0.40
▸ NMUR2 Q9GZQ4 2/20 0.40
▸ NMUR1 Q9HB89 2/20 0.40
▸ CAPN1 P07384 2/20 0.39

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
SCHEMBL16330316 0.90 RAMP3 (0.45) RAMP3CALCRGRB2
SCHEMBL12314880 0.84 RAMP3 (0.47) RAMP3CALCRGRB2
SCHEMBL12314876 0.84 RAMP3 (0.47) RAMP3CALCRGRB2
SCHEMBL13084645 0.84 RAMP3 (0.47) RAMP3CALCRGRB2
SCHEMBL13084700 0.84 RAMP3 (0.47) RAMP3CALCRGRB2
SCHEMBL14452355 0.80 GRB2 (0.45) RAMP3CALCRGRB2CAPN1
SCHEMBL12339085 0.80 RAMP3 (0.46) RAMP3CALCRGRB2CAPN1
SCHEMBL16351204 0.80 RAMP3 (0.46) RAMP3CALCRGRB2CAPN1
SCHEMBL16351202 0.79 OPRM1 (0.49) RAMP3CALCRGRB2CAPN1
SCHEMBL16340685 0.77 GRB2 (0.49) APLNRGRB2CAPN1

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-8263739-B2 also targeting tumor cells that express vascular endothelial growth factor neuropilin-1 receptor; radiotherapy; radiopharmaceuticals; treating angiogenesis BRACCO SUISSE SA (CH) 2012-09-11 — — US disclosed
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