SCHEMBL12899371

SCHEMBL12899371

C[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H](N)[C@@H](C)O

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 10/20 0.44
▸ OPRK1 P41145 10/20 0.44
▸ GRB2 P62993 1/20 0.42
▸ CXCR4 P61073 1/20 0.42
▸ CAPN1 P07384 5/20 0.41
▸ APLNR P35414 1/20 0.40
▸ NTSR2 O95665 1/20 0.40
▸ NTSR1 P30989 1/20 0.40

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
SCHEMBL12314900 1.00 OPRM1 (0.44) OPRM1OPRK1GRB2CXCR4CAPN1
SCHEMBL14227389 0.93 GRB2 (0.50) OPRM1OPRK1GRB2CXCR4CAPN1
SCHEMBL16338735 0.93 OPRM1 (0.47) OPRM1OPRK1GRB2CXCR4CAPN1
SCHEMBL13084631 0.93 GRB2 (0.50) OPRM1OPRK1GRB2CXCR4CAPN1
SCHEMBL12899266 0.93 GRB2 (0.50) OPRM1OPRK1GRB2CXCR4CAPN1
SCHEMBL12261069 0.93 GRB2 (0.50) OPRM1OPRK1GRB2CXCR4CAPN1
SCHEMBL12237919 0.93 GRB2 (0.50) OPRM1OPRK1GRB2CXCR4CAPN1
SCHEMBL12237990 0.93 OPRM1 (0.47) OPRM1OPRK1GRB2CXCR4CAPN1
SCHEMBL16350326 0.91 OPRM1 (0.43) OPRM1OPRK1GRB2CXCR4CAPN1
SCHEMBL1247799 0.90 OPRM1 (0.48) OPRM1OPRK1GRB2CXCR4NTSR2

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-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
US-7820621-B2 Compounds for targeting endothelial cells, compositions containing the same and methods for their use BRACCO INTERNATIONAL B.V. (NL) 2010-10-26 — — US disclosed
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