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SCHEMBL20458940

SCHEMBL20458940

CCC(C)C1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)CC[C@@H](C(=O)N(C)CC(=O)N[C@@H](Cc2ccccc2)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O

nearest known ligand 0.63

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ OXTR P30559 19/20 0.63
▸ AVPR2 P30518 11/20 0.63
▸ AVPR1B P47901 10/20 0.63
▸ AVPR1A P37288 8/20 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
SCHEMBL20459017 1.00 OXTR (0.63) OXTRAVPR2AVPR1BAVPR1A
SCHEMBL17150772 1.00 OXTR (0.63) OXTRAVPR2AVPR1BAVPR1A
SCHEMBL15840392 1.00 OXTR (0.63) OXTRAVPR2AVPR1BAVPR1A
SCHEMBL20458977 0.98 OXTR (0.60) OXTRAVPR2AVPR1BAVPR1A
SCHEMBL17150799 0.98 OXTR (0.60) OXTRAVPR2AVPR1BAVPR1A
SCHEMBL17150794 0.96 OXTR (0.58) OXTRAVPR2AVPR1BAVPR1A
SCHEMBL19771639 0.96 OXTR (0.57) OXTRAVPR2AVPR1BAVPR1A
SCHEMBL20459022 0.93 OXTR (0.61) OXTRAVPR2AVPR1BAVPR1A
SCHEMBL17150773 0.93 OXTR (0.61) OXTRAVPR2AVPR1BAVPR1A
SCHEMBL15840426 0.93 OXTR (0.60) OXTRAVPR2AVPR1BAVPR1A

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
EP-2935312-B1 PEPTIDES AS OXYTOCIN AGONISTS HOFFMANN LA ROCHE (CH) 2018-08-08 — — EP disclosed
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