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Carbetocin

Carbetocin

SCHEMBL3128368

CC(=O)O.CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(OC)cc2)NC(=O)CCCSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O.[CaH2]

nearest known ligand 0.96

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

OXTR

The experimentally established mechanism targets of Carbetocin. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ OXTR known ✓ P30559 15/20 0.96
▸ AVPR1A P37288 11/20 0.96
▸ AVPR2 P30518 10/20 0.96
▸ AVPR1B P47901 6/20 0.96

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 SCHEMBL19745049 0.99 OXTR (0.97) OXTRAVPR1AAVPR2AVPR1B
Carbetocin SCHEMBL19712191 0.98 OXTR (1.00) OXTRAVPR1AAVPR2AVPR1B
Carbetocin SCHEMBL28528620 0.98 OXTR (1.00) OXTRAVPR1AAVPR2AVPR1B
Carbetocin SCHEMBL23118157 0.98 OXTR (1.00) OXTRAVPR1AAVPR2AVPR1B
Carbetocin SCHEMBL39224 0.98 OXTR (1.00) OXTRAVPR1AAVPR2AVPR1B
Carbetocin SCHEMBL23118135 0.95 OXTR (0.94) OXTRAVPR1AAVPR2AVPR1B
Carbetocin SCHEMBL23118146 0.95 OXTR (0.94) OXTRAVPR1AAVPR2AVPR1B
Carbetocin SCHEMBL23118116 0.95 OXTR (0.94) OXTRAVPR1AAVPR2AVPR1B
Carbetocin SCHEMBL23118144 0.95 OXTR (0.93) OXTRAVPR1AAVPR2AVPR1B
Carbetocin SCHEMBL21807451 0.94 OXTR (0.91) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2203192-A1 WOUND CARE FORMULATION Northern Health And Social Care Trust (GB) 2010-07-07 — — EP disclosed
WO-2009037500-A1 WOUND CARE FORMULATION NORTHERN HEALTH AND SOCIAL CARE TRUST (GB) 2009-03-26 — — WO disclosed
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