SCHEMBL7490683

SCHEMBL7490683

CCn1c(CCN2CCCCC2)cc2ccc(C#N)cc21

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 12/20 0.50
▸ SCN7A Q01118 4/20 0.50
▸ SCN5A Q14524 1/20 0.47
▸ SCN2A Q99250 1/20 0.47
▸ SCN8A Q9UQD0 1/20 0.47
▸ KCNH2 Q12809 2/20 0.43
▸ KCNJ1 P48048 1/20 0.43
▸ HRH2 P25021 1/20 0.42
▸ HRH1 P35367 1/20 0.42
▸ USP14 P54578 1/20 0.40

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
SCHEMBL27401589 0.82 PPARG (0.43) HRH3
SCHEMBL16168681 0.79 CYP2A6 (0.47) SCN7AKCNH2
SCHEMBL7490906 0.78 SLC6A4 (0.52) HRH3KCNH2
SCHEMBL7491878 0.77 SLC6A4 (0.38) HRH3KCNH2
SCHEMBL7491888 0.77 SLC6A4 (0.38) HRH3KCNH2
SCHEMBL7489848 0.77 SLC6A4 (0.48) HRH3SCN7A
SCHEMBL7490721 0.77 SLC6A4 (0.48) HRH3SCN7A
SCHEMBL7435149 0.76 ACSS2 (0.44) SCN7AKCNH2
SCHEMBL7220183 0.76 CYP11B2 (0.43) SCN7AKCNH2
SCHEMBL7495800 0.76 ACSS2 (0.41) HRH3SCN7AKCNH2

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
Send feedback