SCHEMBL7490466

SCHEMBL7490466

CCn1c(CCC2CCCN2C(=O)CCl)cc2ccc(C#N)cc21

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 4/20 0.37
▸ SCN7A Q01118 1/20 0.37
▸ KCNH2 Q12809 1/20 0.37
▸ HCRTR1 O43613 1/20 0.37
▸ HCRTR2 O43614 1/20 0.37
▸ SLC6A4 P31645 2/20 0.36
▸ DPP4 P27487 3/20 0.36
▸ CCR9 P51686 1/20 0.36
▸ KDM2B Q8NHM5 4/20 0.36
▸ KDM4E B2RXH2 2/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ TSHR P16473 2/20 0.34
▸ HSD17B10 Q99714 2/20 0.34
▸ USP2 O75604 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ HPGD P15428 1/20 0.34

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
SCHEMBL7490459 1.00 HRH3 (0.37) HRH3SCN7AKCNH2HCRTR1HCRTR2
SCHEMBL7485841 0.90 SLC6A4 (0.38) HRH3SCN7AKCNH2HCRTR1HCRTR2
SCHEMBL7452435 0.90 SLC6A4 (0.38) HRH3SCN7AKCNH2HCRTR1HCRTR2
SCHEMBL7486268 0.89 SCN7A (0.38) HRH3SCN7AKCNH2HCRTR1HCRTR2
SCHEMBL7452780 0.89 SCN7A (0.38) HRH3SCN7AKCNH2HCRTR1HCRTR2
SCHEMBL7491392 0.88 SLC6A4 (0.42) HRH3SCN7AKCNH2HCRTR1HCRTR2
SCHEMBL7490293 0.88 DPP4 (0.44) SLC6A4DPP4KDM4EALDH1A1TSHR
SCHEMBL7447108 0.88 MEN1 (0.39) HRH3SLC6A4DPP4CCR9
SCHEMBL7490288 0.88 DPP4 (0.44) SLC6A4DPP4KDM4EALDH1A1TSHR
SCHEMBL7496052 0.88 MEN1 (0.39) HRH3SLC6A4DPP4CCR9

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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