Sugi Predict

Sugi Predict / Compounds / SCHEMBL15511721

SCHEMBL15511721

SCHEMBL15511721

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

nearest known ligand 0.80

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ OXTR P30559 10/20 0.80
▸ AVPR1A P37288 6/20 0.80
▸ AVPR1B P47901 5/20 0.80
▸ AVPR2 P30518 2/20 0.80

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
SCHEMBL31423752 0.97 OXTR (0.86) OXTRAVPR1AAVPR1BAVPR2
SCHEMBL15512310 0.97 OXTR (0.86) OXTRAVPR1AAVPR1BAVPR2
SCHEMBL15512192 0.94 OXTR (0.77) OXTRAVPR1AAVPR1BAVPR2
SCHEMBL30035426 0.93 OXTR (0.85) OXTRAVPR1AAVPR1BAVPR2
SCHEMBL15512159 0.93 OXTR (0.85) OXTRAVPR1AAVPR1BAVPR2
SCHEMBL15511753 0.92 AVPR1A (0.72) OXTRAVPR1AAVPR1BAVPR2
Aspartocin SCHEMBL2398841 0.92 OXTR (0.94) OXTRAVPR1AAVPR1BAVPR2
Aspartocin SCHEMBL193132 0.92 OXTR (0.94) OXTRAVPR1AAVPR1BAVPR2
Aspartocin SCHEMBL29439933 0.92 OXTR (0.94) OXTRAVPR1AAVPR1BAVPR2
SCHEMBL19712185 0.90 OXTR (0.90) OXTRAVPR1AAVPR1BAVPR2

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
Send feedback