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SCHEMBL20459041

SCHEMBL20459041

CCC(C)C1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)CC[C@@H](C(=O)NCCC2CC2C(=O)N[C@@H](Cc2ccc(N)cc2)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC[C@](C=O)(CCC(N)=O)NC1=O

nearest known ligand 0.49

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ OXTR P30559 12/20 0.49
▸ AVPR1A P37288 2/20 0.46
▸ SRC P12931 1/20 0.45
▸ AVPR2 P30518 1/20 0.44
▸ AVPR1B P47901 1/20 0.44

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
SCHEMBL20458939 0.94 OXTR (0.56) OXTRAVPR1AAVPR2AVPR1B
SCHEMBL20459035 0.93 OXTR (0.46) OXTRAVPR1AAVPR2AVPR1B
SCHEMBL20459018 0.87 OXTR (0.53) OXTRAVPR1AAVPR2AVPR1B
SCHEMBL20459021 0.84 OXTR (0.68) OXTRAVPR1AAVPR2AVPR1B
SCHEMBL17150633 0.81 OXTR (0.58) OXTRAVPR1AAVPR2AVPR1B
SCHEMBL20459028 0.81 OXTR (0.61) OXTRAVPR1AAVPR2AVPR1B
SCHEMBL20459037 0.81 OXTR (0.50) OXTRAVPR1AAVPR2AVPR1B
SCHEMBL20459053 0.80 OXTR (0.54) OXTRAVPR1AAVPR2AVPR1B
SCHEMBL20459039 0.79 OXTR (0.38) OXTRAVPR1A
SCHEMBL19771595 0.78 OXTR (0.76) 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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