SCHEMBL14059803

SCHEMBL14059803

CC[C@H](C)C1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCN=C(N)N)C(=O)O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O

nearest known ligand 0.74

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ OXTR P30559 13/20 0.74
▸ AVPR1A P37288 10/20 0.74
▸ AVPR1B P47901 8/20 0.74
▸ AVPR2 P30518 7/20 0.74
▸ PTGS1 P23219 1/20 0.66
▸ TBXA2R P21731 1/20 0.65
▸ PDE4D Q08499 1/20 0.65
▸ PDE3A Q14432 1/20 0.65

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
SCHEMBL29497344 0.98 OXTR (0.75) OXTRAVPR1AAVPR1BAVPR2PTGS1
SCHEMBL15511428 0.92 OXTR (0.82) OXTRAVPR1AAVPR1BAVPR2PTGS1
Argiprestocin SCHEMBL30424966 0.92 OXTR (0.86) OXTRAVPR1AAVPR1BAVPR2PTGS1
Vasotocin SCHEMBL13331 0.92 OXTR (0.86) OXTRAVPR1AAVPR1BAVPR2PTGS1
Vasotocin SCHEMBL15511393 0.92 OXTR (0.86) OXTRAVPR1AAVPR1BAVPR2PTGS1
Vasotocin SCHEMBL15511347 0.92 OXTR (0.86) OXTRAVPR1AAVPR1BAVPR2PTGS1
SCHEMBL15511015 0.90 OXTR (0.86) OXTRAVPR1AAVPR1BAVPR2
Vasopressin SCHEMBL1172390 0.88 AVPR1A (0.95) OXTRAVPR1AAVPR1BAVPR2PTGS1
SCHEMBL15511399 0.87 AVPR1A (0.78) OXTRAVPR1AAVPR1BAVPR2PTGS1
SCHEMBL29618038 0.86 OXTR (0.86) OXTRAVPR1AAVPR1BAVPR2PTGS1

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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