SCHEMBL9796830

SCHEMBL9796830

N=C(N)NCCCC(N)C(=O)N1CCCC1C(=O)N1CCCC1C(=O)NCC(=O)NC(Cc1ccccc1)C(=O)N[C@@H](CO)C(=O)O

nearest known ligand 0.65

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
BDKRB2 P30411 9/20 0.65
OPRD1 P41143 6/20 0.57
OPRM1 P35372 5/20 0.57
F2 P00734 1/20 0.51
NMUR2 Q9GZQ4 1/20 0.51
NMUR1 Q9HB89 1/20 0.51
EPHA2 P29317 1/20 0.50

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
SCHEMBL9796839 1.00 BDKRB2 (0.65) BDKRB2OPRD1OPRM1F2NMUR2
SCHEMBL29973203 0.97 BDKRB2 (0.67) BDKRB2OPRD1OPRM1F2NMUR2
SCHEMBL11169796 0.97 BDKRB2 (0.67) BDKRB2OPRD1OPRM1F2NMUR2
SCHEMBL9739197 0.97 BDKRB2 (0.61) BDKRB2OPRD1OPRM1F2NMUR2
SCHEMBL9739189 0.97 BDKRB2 (0.61) BDKRB2OPRD1OPRM1F2NMUR2
SCHEMBL29973237 0.96 BDKRB2 (0.64) BDKRB2OPRD1OPRM1F2NMUR2
SCHEMBL17887567 0.96 BDKRB2 (0.64) BDKRB2OPRD1OPRM1F2NMUR2
Bradykinin SCHEMBL7949684 0.95 BDKRB2 (0.67) BDKRB2OPRD1OPRM1F2NMUR2
Bradykinin SCHEMBL7949679 0.95 BDKRB2 (0.67) BDKRB2OPRD1OPRM1F2NMUR2
SCHEMBL29750398 0.95 BDKRB2 (0.62) BDKRB2OPRD1OPRM1NMUR2NMUR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0243429-B1 D-LUCIFERIN DERIVATIVES AND THEIR USE Geiger, Reinhard, Dr. (DE) 1991-01-23 EP disclosed
EP-0243429-A1 D-LUCIFERIN DERIVATIVES AND THEIR USE. GEIGER REINHARD DR (DE) 1987-11-04 EP disclosed
WO-1987002667-A1 D-LUCIFERIN DERIVATIVES AND THEIR USE GEIGER REINHARD (DE) 1987-05-07 WO disclosed