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SCHEMBL29497344

SCHEMBL29497344

CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC(C)C)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 0.75

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ OXTR P30559 13/20 0.75
▸ AVPR1A P37288 6/20 0.75
▸ AVPR2 P30518 5/20 0.75
▸ AVPR1B P47901 5/20 0.75
▸ PTGS1 P23219 1/20 0.63

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
SCHEMBL14059803 0.98 OXTR (0.74) OXTRAVPR1AAVPR2AVPR1BPTGS1
SCHEMBL15511428 0.90 OXTR (0.82) OXTRAVPR1AAVPR2AVPR1BPTGS1
Vasotocin SCHEMBL13331 0.90 OXTR (0.86) OXTRAVPR1AAVPR2AVPR1BPTGS1
Vasotocin SCHEMBL15511393 0.90 OXTR (0.86) OXTRAVPR1AAVPR2AVPR1BPTGS1
Vasotocin SCHEMBL15511347 0.90 OXTR (0.86) OXTRAVPR1AAVPR2AVPR1BPTGS1
Argiprestocin SCHEMBL30424966 0.90 OXTR (0.86) OXTRAVPR1AAVPR2AVPR1BPTGS1
Desmopressin SCHEMBL28867243 0.88 OXTR (0.82) OXTRAVPR1AAVPR2AVPR1BPTGS1
SCHEMBL15511015 0.88 OXTR (0.86) OXTRAVPR1AAVPR2AVPR1B
Oxytocin SCHEMBL1173243 0.86 OXTR (1.00) OXTRAVPR1AAVPR2AVPR1B
Oxytocin SCHEMBL29048 0.86 OXTR (1.00) OXTRAVPR1AAVPR2AVPR1B

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115350184-A Therapeutic combinations of drugs and methods of use thereof 康圣博施医药有限公司 2022-11-18 — — CN claimed
CN-115590966-A Therapeutic combinations of drugs and methods of use thereof 康圣博施医药有限公司（US） 2023-01-13 — — CN disclosed
US-20220146431-A1 REAGENTS AND METHODS FOR DETECTING INFECTIOUS DISEASES IONICA SCIENCES 2022-05-12 — — US disclosed
US-11300519-B2 Reagents and methods for detecting infectious diseases IONICA SCIENCES (US) 2022-04-12 — — US disclosed
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