SCHEMBL20458982

SCHEMBL20458982

CCC(C)C1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)CCC(C(=O)N2CCC2C(=O)NC(CC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O

nearest known ligand 0.81

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ OXTR P30559 13/20 0.81
▸ AVPR1A P37288 6/20 0.76
▸ AVPR2 P30518 5/20 0.74
▸ AVPR1B P47901 5/20 0.74

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
SCHEMBL15840428 1.00 OXTR (0.81) OXTRAVPR1AAVPR2AVPR1B
SCHEMBL19771593 1.00 OXTR (0.81) OXTRAVPR1AAVPR2AVPR1B
SCHEMBL19771636 0.97 OXTR (0.87) OXTRAVPR1AAVPR2AVPR1B
SCHEMBL19771598 0.97 OXTR (0.87) OXTRAVPR1AAVPR2AVPR1B
SCHEMBL17150591 0.97 OXTR (0.87) OXTRAVPR1AAVPR2AVPR1B
SCHEMBL19003816 0.97 OXTR (0.87) OXTRAVPR1AAVPR2AVPR1B
SCHEMBL19771606 0.97 OXTR (0.87) OXTRAVPR1AAVPR2AVPR1B
SCHEMBL20458950 0.97 OXTR (0.87) OXTRAVPR1AAVPR2AVPR1B
SCHEMBL20459034 0.96 OXTR (0.84) OXTRAVPR1AAVPR2AVPR1B
SCHEMBL17150807 0.96 OXTR (0.84) 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 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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