SCHEMBL9838089

SCHEMBL9838089

CC(C)C[C@H](NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)O)C(C)C

nearest known ligand 0.57

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ NMUR2 Q9GZQ4 5/20 0.57
▸ NMUR1 Q9HB89 5/20 0.57
▸ OPRM1 P35372 10/20 0.56
▸ OPRD1 P41143 4/20 0.56
▸ BDKRB2 P30411 1/20 0.55
▸ EPHA2 P29317 2/20 0.54
▸ OPRK1 P41145 6/20 0.51
▸ APLNR P35414 1/20 0.51

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
SCHEMBL30974386 0.88 NMUR2 (0.61) NMUR2NMUR1OPRM1OPRD1BDKRB2
SCHEMBL30974482 0.86 NMUR2 (0.60) NMUR2NMUR1OPRM1OPRD1BDKRB2
Hydrochloric Acid SCHEMBL11644061 0.86 OPRK1 (0.56) NMUR2NMUR1OPRM1OPRK1
SCHEMBL13613778 0.86 OPRD1 (0.60) NMUR2NMUR1OPRM1OPRD1
Temporin A SCHEMBL29385766 0.86 OPRD1 (0.60) NMUR2NMUR1OPRD1
Temporin A SCHEMBL13613777 0.86 OPRD1 (0.60) NMUR2NMUR1OPRD1
SCHEMBL30629127 0.85 NMUR2 (0.63) NMUR2NMUR1OPRM1OPRD1BDKRB2
SCHEMBL30974066 0.85 NMUR2 (0.60) NMUR2NMUR1OPRM1OPRD1EPHA2
SCHEMBL29972969 0.84 BDKRB2 (0.61) NMUR2NMUR1OPRM1OPRD1BDKRB2
SCHEMBL31219332 0.84 REN (0.54) NMUR2NMUR1OPRM1OPRD1OPRK1

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
WO-1991004272-A1 RECOMBINANT POLYPEPTIDES AND PEPTIDES, NUCLEIC ACIDS CODING FOR THE SAME AND USE OF THESE POLYPEPTIDES AND PEPTIDES IN THE DIAGNOSTIC OF TUBERCULOSIS N.V. INNOGENETICS S.A. (BE) 1991-04-04 — — WO disclosed
EP-0419355-A1 Recombinant polypeptides and peptides, nucleic acids coding for the same and use of these polypeptides and peptides in the diagnostic of tuberculosis N.V. INNOGENETICS S.A. (BE) 1991-03-27 — — EP disclosed
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