SCHEMBL6980000

SCHEMBL6980000

C=CCC1CCCNC(=O)C1

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
OR51E2 Q9H255 1/20 0.34
FKBP5 Q13451 1/20 0.33
CRBN Q96SW2 1/20 0.33
PRSS1 P07477 2/20 0.33
CTRC Q99895 2/20 0.33
GAA P10253 1/20 0.33
HPGD P15428 1/20 0.33
MAPK1 P28482 1/20 0.33
F2 P00734 1/20 0.33
ALDH1A1 P00352 1/20 0.32
CCR2 P41597 1/20 0.31
NOS3 P29474 2/20 0.31
NOS1 P29475 2/20 0.31
NOS2 P35228 2/20 0.31

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
SCHEMBL15534436 0.89 ALDH1A1 (0.33) PRSS1CTRCGAAHPGDMAPK1
SCHEMBL15494004 0.77 OR51E2 (0.39) OR51E2FKBP5CRBNGAACCR2
SCHEMBL532353 0.77
SCHEMBL6658644 0.77 OR51E2 (0.39) OR51E2FKBP5CRBNGAACCR2
SCHEMBL2526110 0.76 HTT (0.41) OR51E2FKBP5CRBNALDH1A1CCR2
SCHEMBL5014640 0.74 OR51E2 (0.37) OR51E2FKBP5CRBN
SCHEMBL2482364 0.73 CHRNA7 (0.38) OR51E2FKBP5CRBNALDH1A1CCR2
SCHEMBL15163826 0.72 OR51E2 (0.32) OR51E2FKBP5CRBN
SCHEMBL4937186 0.72 NOS1 (0.41) PRSS1CTRCGAAHPGDMAPK1
SCHEMBL27374922 0.71 OR51E2 (0.34) OR51E2FKBP5CRBNPRSS1CTRC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0821674-B1 CYCLIC AMIDINO AGENTS USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS SEARLE & CO (US) 2003-08-06 EP disclosed
US-6011028-A Cyclic amidino agents useful as nitric oxide synthase inhibitors G.D. SEARLE & CO. (US) 2000-01-04 US disclosed
EP-0821674-A1 CYCLIC AMIDINO AGENTS USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS G.D. SEARLE & CO. (US) 1998-02-04 EP disclosed
WO-1996033175-A1 CYCLIC AMIDINO AGENTS USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS G.D. SEARLE & CO. (US) 1996-10-24 WO disclosed