SCHEMBL15511844

SCHEMBL15511844

NC(=O)CC[C@@H]1NC(=O)C(Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)O)NC(=O)[C@H](CC(N)=O)NC1=O

nearest known ligand 0.68

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ AVPR1B P47901 4/20 0.68
▸ OXTR P30559 5/20 0.56
▸ AVPR2 P30518 2/20 0.56
▸ AVPR1A P37288 2/20 0.56
▸ SSTR4 P31391 9/20 0.54
▸ SSTR2 P30874 8/20 0.54
▸ SSTR3 P32745 8/20 0.54
▸ SSTR5 P35346 8/20 0.54
▸ SSTR1 P30872 4/20 0.54
▸ GRB7 Q14451 1/20 0.49
▸ ANPEP P15144 1/20 0.48
▸ LNPEP Q9UIQ6 1/20 0.48

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
SCHEMBL13827825 0.88 OXTR (0.70) AVPR1BOXTRAVPR2AVPR1ASSTR4
SCHEMBL15510980 0.88 OXTR (0.70) AVPR1BOXTRAVPR2AVPR1ASSTR4
SCHEMBL14060519 0.88 OXTR (0.70) AVPR1BOXTRAVPR2AVPR1ASSTR4
SCHEMBL324626 0.88 OXTR (0.70) AVPR1BOXTRAVPR2AVPR1ASSTR4
SCHEMBL17253461 0.84 AVPR1B (0.52) AVPR1BOXTRAVPR2AVPR1ASSTR4
SCHEMBL17253346 0.84 AVPR1B (0.54) AVPR1BOXTRAVPR2AVPR1ASSTR4
SCHEMBL23114867 0.84 OXTR (0.62) AVPR1BOXTRAVPR2AVPR1A
SCHEMBL29666839 0.78 SSTR4 (0.51) AVPR1BSSTR4SSTR2SSTR3SSTR5
SCHEMBL19560692 0.77 OXTR (0.77) AVPR1BOXTRAVPR2AVPR1AGRB7
SCHEMBL15511438 0.76 OXTR (0.87) AVPR1BOXTRAVPR2AVPR1A

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-20140066373-A1 TREATING DIABETES WITH OXYTOCIN OR OXYTOCIN ANALOGS ALBERT EINSTEIN COLLEGE OF MEDICINE OF YESHIVA UNIVERSITY (US) 2014-03-06 — — US disclosed
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