SCHEMBL27608488

SCHEMBL27608488

O=C(CCc1ccccc1)NC(Cc1ccccc1)C(=O)NC(CCCc1cnc[nH]1)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ SLC15A2 Q16348 1/20 0.56
▸ S1PR1 P21453 2/20 0.52
▸ HRH3 Q9Y5N1 2/20 0.52
▸ AGTR2 P50052 1/20 0.52
▸ HRH2 P25021 1/20 0.52
▸ HRH4 Q9H3N8 1/20 0.52
▸ REN P00797 2/20 0.48
▸ PIN1 Q13526 1/20 0.47
▸ GNPAT O15228 1/20 0.47

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
SCHEMBL27608485 1.00 SLC15A2 (0.56) SLC15A2S1PR1HRH3AGTR2HRH2
SCHEMBL5966514 0.91 S1PR1 (0.51) SLC15A2S1PR1HRH3HRH2HRH4
SCHEMBL5966511 0.91 S1PR1 (0.51) SLC15A2S1PR1HRH3HRH2HRH4
SCHEMBL27608533 0.83 REN (0.56) REN
SCHEMBL5966639 0.80 ITGB3 (0.47) PIN1GNPAT
SCHEMBL5966635 0.80 ITGB3 (0.47) PIN1GNPAT
SCHEMBL20133407 0.80 REN (0.61) SLC15A2REN
SCHEMBL28042757 0.79 SLC15A2 (0.70) SLC15A2S1PR1AGTR2REN
SCHEMBL2704790 0.78 MME (0.53) PIN1GNPAT
SCHEMBL18862444 0.77 REN (0.55) HRH3HRH2HRH4REN

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
CN-1571796-A Melanocortin receptor ligands PROCTER & GAMBLE (US) 2005-01-26 — — CN disclosed
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