SCHEMBL10872035

SCHEMBL10872035

O=C(CC(Cc1cccc2ccccc12)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)O)NCCc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ REN P00797 5/20 0.55
▸ FNTA P49354 1/20 0.52
▸ PGGT1B P53609 1/20 0.52
▸ HRH4 Q9H3N8 1/20 0.49
▸ NMBR P28336 2/20 0.47
▸ MME P08473 1/20 0.46
▸ ECE1 P42892 1/20 0.46

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
SCHEMBL10522368 0.93 REN (0.54) RENFNTAPGGT1BNMBR
SCHEMBL10571943 0.88 REN (0.66) RENFNTAPGGT1B
SCHEMBL29486802 0.85 REN (0.64) REN
SCHEMBL10825069 0.85 REN (0.64) REN
SCHEMBL10571770 0.85 REN (0.63) RENFNTAPGGT1B
SCHEMBL10872017 0.84 HRH4 (0.50) HRH4MME
SCHEMBL7758645 0.81 MEN1 (0.60) —
SCHEMBL10570967 0.80 HRH4 (0.47) RENHRH4MME
SCHEMBL10570975 0.80 HRH4 (0.47) RENHRH4MME
SCHEMBL7291021 0.80 KMT2A (0.57) HRH4

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-0190891-A2 Novel amino acid derivatives Kissei Pharmaceutical Co. Ltd. (JP) 1986-08-13 — — EP disclosed
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