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SCHEMBL20099290

SCHEMBL20099290

CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCC(=O)NC[C@@H](C(=O)N(CC(=O)NC(C)(CC(C)C)C(=O)NCC(N)=O)C2CC2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O

nearest known ligand 0.62

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ OXTR P30559 16/20 0.62
▸ AVPR1B P47901 11/20 0.53
▸ AVPR2 P30518 10/20 0.53
▸ AVPR1A P37288 9/20 0.52

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
SCHEMBL18656355 1.00 OXTR (0.62) OXTRAVPR1BAVPR2AVPR1A
SCHEMBL18656294 0.94 OXTR (0.63) OXTRAVPR1BAVPR2AVPR1A
SCHEMBL18656356 0.93 OXTR (0.53) OXTRAVPR1BAVPR2AVPR1A
SCHEMBL20097760 0.93 OXTR (0.62) OXTRAVPR1BAVPR2AVPR1A
SCHEMBL17323490 0.93 OXTR (0.62) OXTRAVPR1BAVPR2AVPR1A
SCHEMBL20099246 0.89 OXTR (0.64) OXTRAVPR1BAVPR2AVPR1A
SCHEMBL18656365 0.88 OXTR (0.72) OXTRAVPR1BAVPR2AVPR1A
SCHEMBL18656297 0.88 OXTR (0.62) OXTRAVPR1BAVPR2AVPR1A
SCHEMBL18656360 0.88 OXTR (0.62) OXTRAVPR1BAVPR2AVPR1A
SCHEMBL18656295 0.87 OXTR (0.62) OXTRAVPR1BAVPR2AVPR1A

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
US-9957298-B2 Peptides as oxytocin agonists HOFFMANN-LA ROCHE INC. (US) 2018-05-01 — — US disclosed
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