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SCHEMBL15511596

SCHEMBL15511596

CCC(C)C1NC(=O)C(Cc2ccc(O)cc2)NC(=O)CCCSCC(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 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ AVPR1A P37288 8/20 1.00
▸ OXTR P30559 16/20 0.89
▸ AVPR2 P30518 7/20 0.89
▸ AVPR1B P47901 6/20 0.89

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
Carbetocin SCHEMBL39224 0.94 OXTR (1.00) AVPR1AOXTRAVPR2AVPR1B
Carbetocin SCHEMBL23118157 0.94 OXTR (1.00) AVPR1AOXTRAVPR2AVPR1B
Carbetocin SCHEMBL28528620 0.94 OXTR (1.00) AVPR1AOXTRAVPR2AVPR1B
Carbetocin SCHEMBL19712191 0.94 OXTR (1.00) AVPR1AOXTRAVPR2AVPR1B
Demoxytocin SCHEMBL38442 0.94 AVPR1A (0.88) AVPR1AOXTRAVPR2AVPR1B
Demoxytocin SCHEMBL29376547 0.94 AVPR1A (0.88) AVPR1AOXTRAVPR2AVPR1B
Demoxytocin SCHEMBL38443 0.94 AVPR1A (0.88) AVPR1AOXTRAVPR2AVPR1B
Carbetocin SCHEMBL23118116 0.93 OXTR (0.94) AVPR1AOXTRAVPR2AVPR1B
SCHEMBL15511808 0.93 AVPR1A (0.87) AVPR1AOXTRAVPR2AVPR1B
SCHEMBL15511850 0.93 OXTR (0.88) 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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