SCHEMBL10722653

SCHEMBL10722653

O=C(N[C@@H](Cc1cnc[nH]1)C(=O)O)C(CC(=O)N1CCOCC1)Cc1cccc2ccccc12

nearest known ligand 0.70

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ REN P00797 11/20 0.70
▸ FNTA P49354 3/20 0.46
▸ FNTB P49356 2/20 0.46
▸ PGGT1B P53609 1/20 0.45
▸ ITGB2 P05107 2/20 0.44
▸ ICAM1 P05362 2/20 0.44
▸ ITGAL P20701 2/20 0.44
▸ HRH4 Q9H3N8 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
SCHEMBL7381945 0.92 REN (0.71) RENFNTAFNTBPGGT1B
SCHEMBL7283924 0.89 REN (0.63) RENFNTAFNTBPGGT1B
SCHEMBL6013385 0.86 REN (0.67) REN
SCHEMBL10422508 0.84 REN (0.52) RENHRH4
Water SCHEMBL10422512 0.84 REN (0.52) RENHRH4
SCHEMBL10572007 0.82 REN (0.59) RENHRH4
SCHEMBL10421161 0.81 REN (0.49) RENHRH4
SCHEMBL7286089 0.80 REN (0.53) RENHRH4
SCHEMBL10422511 0.80 REN (0.48) RENHRH4
SCHEMBL7286077 0.80 REN (0.53) RENHRH4

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-0244083-A2 Amino acid derivatives Kissei Pharmaceutical Co. Ltd. (JP) 1987-11-04 — — EP disclosed
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