SCHEMBL12082709

SCHEMBL12082709

CCOC(C)SCC(=O)CC(CCCC(=O)N[C@@H](C)C(=O)C[C@H]1CSSC[C@@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)CCC(=O)N[C@@H](CC(=O)O)C(=O)C[C@H]2CSSC[C@@H](C(=O)NCC(=O)O)CC(=O)[C@H](Cc3ccccc3)NC2=O)CC(=O)[C@H](CC(=O)O)NC1=O)C(=O)NCC(=O)NCC(=O)O

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AVPR2 P30518 3/20 0.34
▸ AVPR1A P37288 3/20 0.34
▸ AVPR1B P47901 3/20 0.34
▸ OXTR P30559 2/20 0.34
▸ CSNK2A2 P19784 1/20 0.32
▸ CSNK2B P67870 1/20 0.32
▸ CSNK2A1 P68400 1/20 0.32
▸ CSNK2A3 Q8NEV1 1/20 0.32
▸ ALB P02768 1/20 0.32
▸ OPRL1 P41146 2/20 0.32
▸ KLK7 P49862 1/20 0.32
▸ KEAP1 Q14145 1/20 0.32
▸ NFE2L2 Q16236 1/20 0.32
▸ IL23R Q5VWK5 2/20 0.31
▸ EPHA2 P29317 1/20 0.31
▸ PLAU P00749 1/20 0.31
▸ TSLP Q969D9 1/20 0.31
▸ F12 P00748 1/20 0.31
▸ BCL2L1 Q07817 1/20 0.31
▸ BAD Q92934 1/20 0.31

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
SCHEMBL12082722 0.80 AVPR2 (0.33) AVPR2AVPR1AAVPR1BOXTRALB
SCHEMBL13113570 0.76 SSTR2 (0.44) AVPR1ACSNK2A2CSNK2BCSNK2A1CSNK2A3
SCHEMBL11926078 0.70 OXTR (0.38) AVPR1AAVPR1BOXTR
SCHEMBL11926081 0.67 NPY4R (0.40) —
SCHEMBL13113585 0.64 PLAU (0.51) AVPR2AVPR1AAVPR1BOXTRKLK7
SCHEMBL16349705 0.64 SSTR2 (0.47) AVPR1ACSNK2A2CSNK2BCSNK2A1CSNK2A3
SCHEMBL12085211 0.63 ALB (0.44) AVPR2AVPR1AAVPR1BOXTRALB
SCHEMBL13287941 0.60 SSTR2 (0.50) AVPR1AALBKLK7IL23RPLAU
SCHEMBL16349623 0.60 PLAU (0.46) AVPR2AVPR1AAVPR1BOXTRKLK7
SCHEMBL13113564 0.60 KLK7 (0.44) AVPR2AVPR1AAVPR1BOXTRALB

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-8258101-B2 Peptide-based compounds GE HEALTHCARE AS (NO) 2012-09-04 — — US disclosed
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