SCHEMBL6516908

SCHEMBL6516908

CC(C)CC(NC(=O)C(Cc1c[nH]cn1)NC(=O)C(Cc1ccccc1)NC(=O)C1CCCN1C(=O)C(N)Cc1c[nH]cn1)C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
REN P00797 3/20 0.58
OPRM1 P35372 2/20 0.55
OPRD1 P41143 2/20 0.55
OPRK1 P41145 2/20 0.55
SLC6A2 P23975 1/20 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
SCHEMBL29525618 1.00 REN (0.58) RENOPRM1OPRD1OPRK1SLC6A2
SCHEMBL30480493 0.92 OPRM1 (0.55) RENOPRM1OPRD1OPRK1SLC6A2
SCHEMBL30480492 0.92 OPRM1 (0.55) RENOPRM1OPRD1OPRK1SLC6A2
SCHEMBL30454361 0.92 REN (0.51) RENOPRM1OPRD1OPRK1SLC6A2
SCHEMBL31072130 0.91 REN (0.46) RENOPRM1
SCHEMBL29649768 0.91 OPRM1 (0.54) RENOPRM1OPRD1OPRK1SLC6A2
SCHEMBL31108671 0.91 REN (0.55) RENOPRM1OPRD1OPRK1SLC6A2
SCHEMBL31206334 0.90 APLNR (0.59) RENOPRM1OPRD1OPRK1
SCHEMBL29448209 0.90 REN (0.66) REN
SCHEMBL11092435 0.90 REN (0.47) RENSLC6A2

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
US-20050100951-A1 3D format biochips and method of use BIOCEPT, INC. (US) 2005-05-12 US disclosed