SCHEMBL14059683

SCHEMBL14059683

CCOc1ccc(CC2NC(=O)CC(CC)(CC)SSCC(C(=O)N3CCCC3C(=O)NC(CCCN)C(=O)NCC(N)=O)NC(=O)C(CC(N)=O)NC(=O)C(CCC(N)=O)NC(=O)C(C(C)CC)NC2=O)cc1

nearest known ligand 0.81

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ OXTR P30559 4/20 0.78
▸ AVPR2 P30518 2/20 0.68
▸ AVPR1A P37288 1/20 0.68
▸ AVPR1B P47901 1/20 0.68

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
SCHEMBL21255736 0.88 OXTR (0.72) OXTRAVPR2AVPR1AAVPR1B
Atosiban SCHEMBL1648581 0.87 OXTR (0.71) OXTRAVPR2AVPR1AAVPR1B
Atosiban SCHEMBL34316 0.87 OXTR (0.71) OXTRAVPR2AVPR1AAVPR1B
Atosiban SCHEMBL29522709 0.87 OXTR (0.71) OXTRAVPR2AVPR1AAVPR1B
Atosiban SCHEMBL19712221 0.87 OXTR (0.71) OXTRAVPR2AVPR1AAVPR1B
Atosiban SCHEMBL4410202 0.85 OXTR (0.69) OXTRAVPR2AVPR1AAVPR1B
SCHEMBL15511860 0.85 OXTR (0.81) OXTRAVPR2AVPR1AAVPR1B
Atosiban SCHEMBL3138542 0.85 OXTR (0.69) OXTRAVPR2AVPR1AAVPR1B
SCHEMBL15511140 0.85 OXTR (0.91) OXTRAVPR2AVPR1AAVPR1B
SCHEMBL14059786 0.84 OXTR (0.87) OXTRAVPR2AVPR1AAVPR1B

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 2 patents. 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
WO-2012161746-A1 USE OF OXYTOCIN OR OXYTOCIN ANALOGUES TO TREAT OBESITY AND DIABETES ALBERT EINSTEIN COLLEGE OF MEDICINE OF YESHIVA UNIVERSITY (US) 2012-11-29 — — WO disclosed
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