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SCHEMBL15511706

SCHEMBL15511706

CCC(C)C1NC(=O)C(Cc2ccc(NC(=O)CBr)cc2)NC(=O)CCSSCC(C(=O)N2CCCC2C(=O)NC(CC(C)C)C(=O)NCC(N)=O)NC(=O)C(CC(N)=O)NC(=O)C(CCC(N)=O)NC1=O

nearest known ligand 0.81

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ AVPR1A P37288 6/20 0.76
▸ OXTR P30559 13/20 0.76
▸ AVPR2 P30518 5/20 0.76
▸ AVPR1B P47901 5/20 0.76

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
Demoxytocin SCHEMBL38442 0.93 AVPR1A (0.88) AVPR1AOXTRAVPR2AVPR1B
Demoxytocin SCHEMBL38443 0.93 AVPR1A (0.88) AVPR1AOXTRAVPR2AVPR1B
Demoxytocin SCHEMBL29376547 0.93 AVPR1A (0.88) AVPR1AOXTRAVPR2AVPR1B
SCHEMBL15511632 0.92 AVPR1A (0.80) AVPR1AOXTRAVPR2AVPR1B
SCHEMBL15511860 0.91 OXTR (0.81) AVPR1AOXTRAVPR2AVPR1B
Oxytocin SCHEMBL28086558 0.90 OXTR (0.93) AVPR1AOXTRAVPR2AVPR1B
Oxytocin Trisulfide SCHEMBL30712243 0.90 AVPR1A (0.86) AVPR1AOXTRAVPR2AVPR1B
SCHEMBL22333521 0.87 AVPR1A (0.79) AVPR1AOXTRAVPR2AVPR1B
SCHEMBL15511742 0.87 OXTR (0.93) AVPR1AOXTRAVPR2AVPR1B
SCHEMBL15511596 0.86 AVPR1A (1.00) AVPR1AOXTRAVPR2AVPR1B

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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