SCHEMBL7718079

SCHEMBL7718079

CCC([C]=O)N1CCNC1

nearest known ligand 0.30

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.30
SLC6A4 P31645 1/20 0.30
OPRD1 P41143 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
SCHEMBL947586 0.88 SLC6A2 (0.35) SLC6A2SLC6A4OPRD1
SCHEMBL7662942 0.74
SCHEMBL7713683 0.74
SCHEMBL9660602 0.73 SIGMAR1 (0.36) SLC6A2SLC6A4OPRD1
SCHEMBL678404 0.73 SLC6A2 (0.30) SLC6A2SLC6A4
SCHEMBL3301449 0.73 KDM4E (0.31) SLC6A2SLC6A4OPRD1
SCHEMBL7427732 0.71 FDPS (0.32)
SCHEMBL14700537 0.71
SCHEMBL9661910 0.70 SIGMAR1 (0.43) SLC6A2SLC6A4OPRD1
SCHEMBL23668190 0.69 HTR1A (0.31)

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
WO-2002087587-A2 4-AMINOSULFONYLQUINAZOLINES AND -QUINOLINES AS TYROSINE KINASE INHIBITORS CELLTECH R & D LIMITED (GB) 2002-11-07 WO disclosed