SCHEMBL5748533

SCHEMBL5748533

COCOC1(C(=O)N(OC)c2ccnc3cccnc23)CCNCC1

nearest known ligand 0.30

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.30

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
SCHEMBL5750031 0.89 OPRM1 (0.31) OPRM1
SCHEMBL5749911 0.83 HTR1A (0.32) OPRM1
SCHEMBL5749910 0.83 OPRM1 (0.31) OPRM1
SCHEMBL5750591 0.83 OPRM1 (0.32) OPRM1
SCHEMBL5750075 0.81 IRAK4 (0.32)
SCHEMBL5750366 0.80
SCHEMBL5749947 0.78 SSTR4 (0.32) OPRM1
SCHEMBL5746008 0.75 KDM4E (0.30)
SCHEMBL5748603 0.71 POLB (0.41)
SCHEMBL5748387 0.69 POLB (0.41)

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-1419155-B1 PIPERIDINE DERIVATIVES AS ANTIBACTERIAL AGENTS SMITHKLINE BEECHAM PLC (GB) 2006-11-08 EP disclosed