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SCHEMBL12314880

SCHEMBL12314880

CC(O)C(NC(=O)CNC(=O)COCOCC(=O)NCC(=O)NC(C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@H](CCCNC(=N)N)C(=O)O)C(C)O)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ RAMP3 O60896 16/20 0.47
▸ CALCR P30988 16/20 0.47
▸ IL23R Q5VWK5 1/20 0.44
▸ OPRM1 P35372 2/20 0.43
▸ OPRK1 P41145 2/20 0.43
▸ GRB2 P62993 1/20 0.43

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
SCHEMBL12314876 1.00 RAMP3 (0.47) RAMP3CALCRIL23ROPRM1OPRK1
SCHEMBL13084700 1.00 RAMP3 (0.47) RAMP3CALCRIL23ROPRM1OPRK1
SCHEMBL13084645 1.00 RAMP3 (0.47) RAMP3CALCRIL23ROPRM1OPRK1
SCHEMBL16330316 0.94 RAMP3 (0.45) RAMP3CALCRIL23ROPRM1OPRK1
SCHEMBL12339085 0.91 RAMP3 (0.46) RAMP3CALCRIL23ROPRM1OPRK1
SCHEMBL16351204 0.91 RAMP3 (0.46) RAMP3CALCRIL23ROPRM1OPRK1
SCHEMBL14452355 0.89 GRB2 (0.45) RAMP3CALCROPRM1OPRK1GRB2
SCHEMBL16351202 0.88 OPRM1 (0.49) RAMP3CALCROPRM1OPRK1GRB2
SCHEMBL16340730 0.85 RAMP3 (0.50) RAMP3CALCRIL23R
SCHEMBL13084631 0.85 GRB2 (0.50) RAMP3CALCROPRM1OPRK1GRB2

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
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
US-7884183-B2 also targeting tumor cells that express vascular endothelial growth factor neuropilin-1 receptor; radiotherapy; radiopharmaceuticals; treating angiogenesis BRACCO SUISSE SA (CH) 2011-02-08 — — US disclosed
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