SCHEMBL30925570

SCHEMBL30925570

N=C(N)NCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)NCC(=O)NCC(=O)NCC(=O)N[C@@H](CO)C(=O)O

nearest known ligand 0.63

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ OPRD1 P41143 10/20 0.63
▸ OPRM1 P35372 5/20 0.63
▸ BDKRB2 P30411 3/20 0.55
▸ NMUR2 Q9GZQ4 5/20 0.55
▸ NMUR1 Q9HB89 5/20 0.55
▸ EPHA2 P29317 2/20 0.53

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
SCHEMBL30925590 0.96 OPRD1 (0.57) OPRD1OPRM1BDKRB2NMUR2NMUR1
Bradykinin SCHEMBL7949684 0.88 BDKRB2 (0.67) OPRD1OPRM1BDKRB2NMUR2NMUR1
Bradykinin SCHEMBL7949679 0.88 BDKRB2 (0.67) OPRD1OPRM1BDKRB2NMUR2NMUR1
SCHEMBL17887567 0.87 BDKRB2 (0.64) OPRD1OPRM1BDKRB2NMUR2NMUR1
SCHEMBL29973237 0.87 BDKRB2 (0.64) OPRD1OPRM1BDKRB2NMUR2NMUR1
SCHEMBL17887976 0.87 BDKRB2 (0.59) OPRD1OPRM1BDKRB2NMUR2NMUR1
SCHEMBL9796830 0.87 BDKRB2 (0.65) OPRD1OPRM1BDKRB2NMUR2NMUR1
SCHEMBL9796839 0.87 BDKRB2 (0.65) OPRD1OPRM1BDKRB2NMUR2NMUR1
SCHEMBL30672572 0.86 BDKRB2 (0.72) OPRD1OPRM1BDKRB2NMUR2NMUR1
SCHEMBL31410880 0.86 OPRM1 (0.58) OPRD1OPRM1NMUR2NMUR1EPHA2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240101600-A1 FIBROBLAST GROWTH FACTOR RECEPTOR (FGFR)-TARGETING ANTAGONISTIC SHORT PEPTIDE WENZHOU MEDICAL UNIVERSITY (CN) 2024-03-28 — — US claimed
US-20240101600-A1 FIBROBLAST GROWTH FACTOR RECEPTOR (FGFR)-TARGETING ANTAGONISTIC SHORT PEPTIDE WENZHOU MEDICAL UNIVERSITY (CN) 2024-03-28 — — US disclosed
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