SCHEMBL16349623

SCHEMBL16349623

CC(=N)NCCC[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](C)N)C(=O)N[C@@H](CC(=O)O)C(=O)N1)C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@H]1CSSC[C@@H](C(=O)NCC(=O)O)NC(=O)[C@H](Cc2ccccc2)NC1=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PLAU P00749 2/20 0.46
▸ SSTR1 P30872 2/20 0.46
▸ SSTR2 P30874 2/20 0.46
▸ SSTR4 P31391 2/20 0.46
▸ SSTR3 P32745 2/20 0.46
▸ SSTR5 P35346 2/20 0.46
▸ CTSG P08311 3/20 0.45
▸ KLKB1 P03952 3/20 0.44
▸ TSLP Q969D9 1/20 0.44
▸ AVPR1A P37288 3/20 0.44
▸ AVPR2 P30518 2/20 0.44
▸ OXTR P30559 2/20 0.44
▸ AVPR1B P47901 2/20 0.44
▸ EPHA2 P29317 1/20 0.43
▸ KLK7 P49862 1/20 0.43
▸ TBXA2R P21731 1/20 0.42
▸ PDE4D Q08499 1/20 0.42
▸ PDE3A Q14432 1/20 0.42
▸ BCL2L1 Q07817 1/20 0.42
▸ BAD Q92934 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
SCHEMBL13113585 0.95 PLAU (0.51) PLAUSSTR1SSTR2SSTR4SSTR3
SCHEMBL16349705 0.85 SSTR2 (0.47) PLAUSSTR1SSTR2SSTR4SSTR3
SCHEMBL13113566 0.84 SSTR2 (0.50) PLAUSSTR1SSTR2SSTR4SSTR3
SCHEMBL13287941 0.84 SSTR2 (0.50) PLAUSSTR1SSTR2SSTR4SSTR3
SCHEMBL12082795 0.83 IL23R (0.52) PLAUSSTR1SSTR2SSTR4SSTR3
SCHEMBL13113570 0.82 SSTR2 (0.44) PLAUSSTR1SSTR2SSTR4SSTR3
SCHEMBL12085211 0.81 ALB (0.44) PLAUSSTR1SSTR2SSTR4SSTR3
SCHEMBL13287944 0.80 SSTR4 (0.43) SSTR1SSTR2SSTR4SSTR3SSTR5
SCHEMBL12082904 0.79 OPRM1 (0.43) SSTR1SSTR2SSTR4SSTR3SSTR5
SCHEMBL13113564 0.79 KLK7 (0.44) PLAUSSTR1SSTR2SSTR4SSTR3

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-7737252-B2 Peptide-based compounds GE HEALTHCARE AS (NO) 2010-06-15 — — US disclosed
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