SCHEMBL3958832

SCHEMBL3958832

O=C1CC2(CCCCCCC2)C(=O)N1

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CRBN Q96SW2 13/20 0.40
TSHR P16473 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
DDB1 Q16531 1/20 0.37
POLB P06746 2/20 0.32
ALDH1A1 P00352 1/20 0.32

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
SCHEMBL3825820 1.00 CRBN (0.40) CRBNTSHRNPSR1DDB1POLB
SCHEMBL278231 0.97 CRBN (0.41) CRBNTSHRNPSR1DDB1
SCHEMBL278097 0.87
SCHEMBL21049515 0.84 CRBN (0.37) CRBNTSHRNPSR1DDB1
SCHEMBL277887 0.78 CRBN (0.48) CRBNALDH1A1
SCHEMBL277992 0.78 CRBN (0.48) CRBNALDH1A1
SCHEMBL2732740 0.78 CRBN (0.55) CRBN
SCHEMBL5435030 0.78 CRBN (0.48) CRBNTSHRALDH1A1
SCHEMBL278221 0.78 CRBN (0.48) CRBNALDH1A1
SCHEMBL785575 0.78 CRBN (0.55) CRBNTSHRNPSR1DDB1

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
EP-2086958-A2 SUBSTITUTED-QUINOXALINE-TYPE-PIPERIDINE COMPOUNDS AND THE USES THEREOF Purdue Pharma LP (US) 2009-08-12 EP disclosed
WO-2009027820-A2 SUBSTITUTED-QUINOXALINE-TYPE-PIPERIDINE COMPOUNDS AND THE USES THEREOF PURDUE PHARMA L.P. (DE) 2009-03-05 WO disclosed