SCHEMBL7490187

SCHEMBL7490187

CCOC(=O)CN1CCCC1C(=O)N1CCCCC1CCc1cc2ccc(C#N)cc2n1CC

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ SLC6A4 P31645 1/20 0.37
▸ HRH3 Q9Y5N1 4/20 0.34
▸ SCN7A Q01118 1/20 0.34
▸ KCNH2 Q12809 1/20 0.34
▸ HCRTR1 O43613 1/20 0.34
▸ HCRTR2 O43614 1/20 0.34
▸ USP14 P54578 7/20 0.34
▸ KDM4E B2RXH2 2/20 0.34
▸ ALDH1A1 P00352 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ MMEL1 Q495T6 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
SCHEMBL7490184 1.00 SLC6A4 (0.37) SLC6A4HRH3SCN7AKCNH2HCRTR1
SCHEMBL7496940 0.99 SLC6A4 (0.38) SLC6A4HRH3SCN7AKCNH2HCRTR1
SCHEMBL7496944 0.99 SLC6A4 (0.38) SLC6A4HRH3SCN7AKCNH2HCRTR1
SCHEMBL7493801 0.98 HRH3 (0.35) SLC6A4HRH3SCN7AKCNH2HCRTR1
SCHEMBL7485506 0.98 HRH3 (0.35) SLC6A4HRH3SCN7AKCNH2HCRTR1
SCHEMBL7485497 0.98 HRH3 (0.35) SLC6A4HRH3SCN7AKCNH2HCRTR1
SCHEMBL7487289 0.95 USP14 (0.34) SLC6A4HRH3SCN7AKCNH2USP14
SCHEMBL7487296 0.95 USP14 (0.34) SLC6A4HRH3SCN7AKCNH2USP14
SCHEMBL7489272 0.93 SLC6A4 (0.38) SLC6A4HRH3SCN7AKCNH2HCRTR1
SCHEMBL7495707 0.92 SLC6A4 (0.35) SLC6A4HRH3SCN7AKCNH2HCRTR1

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-0918768-B1 AROMATIC AMIDINE DERIVATIVES USEFUL AS SELECTIVE THROMBIN INHIBITORS C & C RES LAB (KR) 2002-01-09 — — EP disclosed
US-6201006-B1 ANTICOAGULANTS C & C RESEARCH LABORATORIES (KR) 2001-03-13 — — US disclosed
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