SCHEMBL7485271

SCHEMBL7485271

CCn1c(CCC2CCCN2C(=O)C2CCCN2CC(=O)OC)cc2ccc(C#N)cc21

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 7/20 0.36
▸ SLC6A4 P31645 1/20 0.35
▸ SCN7A Q01118 1/20 0.34
▸ KCNH2 Q12809 1/20 0.34
▸ KDM4E B2RXH2 2/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ TSHR P16473 2/20 0.33
▸ HSD17B10 Q99714 2/20 0.33
▸ USP2 O75604 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ KDM2B Q8NHM5 1/20 0.33
▸ HCRTR1 O43613 1/20 0.33
▸ HCRTR2 O43614 1/20 0.33
▸ HSD11B1 P28845 1/20 0.32
▸ CYP11B1 P15538 1/20 0.32
▸ CYP11B2 P19099 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
SCHEMBL7485264 1.00 HRH3 (0.36) HRH3SLC6A4SCN7AKCNH2KDM4E
SCHEMBL7489272 0.98 SLC6A4 (0.38) HRH3SLC6A4SCN7AKCNH2KDM4E
SCHEMBL7490226 0.94 SLC6A4 (0.35) HRH3SLC6A4SCN7AKCNH2HCRTR1
SCHEMBL7490219 0.94 SLC6A4 (0.35) HRH3SLC6A4SCN7AKCNH2HCRTR1
SCHEMBL7485497 0.93 HRH3 (0.35) HRH3SLC6A4SCN7AKCNH2ALDH1A1
SCHEMBL7493801 0.93 HRH3 (0.35) HRH3SLC6A4SCN7AKCNH2ALDH1A1
SCHEMBL7485506 0.93 HRH3 (0.35) HRH3SLC6A4SCN7AKCNH2ALDH1A1
SCHEMBL7490187 0.92 SLC6A4 (0.37) HRH3SLC6A4SCN7AKCNH2KDM4E
SCHEMBL7490184 0.92 SLC6A4 (0.37) HRH3SLC6A4SCN7AKCNH2KDM4E
SCHEMBL7496940 0.91 SLC6A4 (0.38) HRH3SLC6A4SCN7AKCNH2KDM4E

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-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
EP-0918768-A1 AROMATIC AMIDINE DERIVATIVES USEFUL AS SELECTIVE THROMBIN INHIBITORS C & C Research Laboratories (KR) 1999-06-02 — — EP disclosed
WO-1997045424-A1 AROMATIC AMIDINE DERIVATIVES USEFUL AS SELECTIVE THROMBIN INHIBITORS C & C RESEARCH LABORATORIES (KR) 1997-12-04 — — WO disclosed
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