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SCHEMBL15849834

SCHEMBL15849834

CCC(C)C1NC(=O)C(Cc2ccc(O)c(-n3[nH]c(=O)n(-c4ccccc4)c3=O)c2)NC(=O)C(N)CSSCC(C(=O)O)NC(=O)C(CC(N)=O)NCC(CCC(N)=O)NC1=O

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ OXTR P30559 7/20 0.45
▸ AVPR2 P30518 3/20 0.43
▸ AVPR1A P37288 3/20 0.43
▸ AVPR1B P47901 3/20 0.43
▸ SSTR4 P31391 11/20 0.40
▸ SSTR2 P30874 10/20 0.40
▸ SSTR3 P32745 9/20 0.40
▸ SSTR5 P35346 9/20 0.40
▸ SSTR1 P30872 4/20 0.40

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
SCHEMBL13827822 0.93 OXTR (0.51) OXTRAVPR2AVPR1AAVPR1BSSTR4
SCHEMBL13827821 0.92 OXTR (0.44) OXTRAVPR2AVPR1AAVPR1BSSTR4
SCHEMBL15849874 0.86 OXTR (0.47) OXTRAVPR2AVPR1AAVPR1B
SCHEMBL13828029 0.85 OXTR (0.47) OXTRAVPR2AVPR1AAVPR1B
SCHEMBL13827445 0.83 OXTR (0.47) OXTRAVPR2AVPR1AAVPR1B
SCHEMBL15510980 0.76 OXTR (0.70) OXTRAVPR2AVPR1AAVPR1BSSTR4
SCHEMBL13827825 0.76 OXTR (0.70) OXTRAVPR2AVPR1AAVPR1BSSTR4
SCHEMBL324626 0.76 OXTR (0.70) OXTRAVPR2AVPR1AAVPR1BSSTR4
SCHEMBL14060519 0.76 OXTR (0.70) OXTRAVPR2AVPR1AAVPR1BSSTR4
SCHEMBL13827829 0.68 OXTR (0.51) OXTRAVPR2AVPR1AAVPR1BSSTR4

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-8765920-B2 Tyrosine bioconjugation through aqueous Ene-like reactions THE SCRIPPS RESEARCH INSTITUTE (US) 2014-07-01 — — US disclosed
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