SCHEMBL13638709

SCHEMBL13638709

Cc1nc2cc(NCCCN3CCCC3)ccc2c(=O)n1-c1ccc(NC(=O)NS(=O)(=O)C2=CCC(Cl)S2)cc1

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 15/20 0.45
KCNH2 Q12809 10/20 0.45
ADRA1A P35348 1/20 0.39
PPARG P37231 1/20 0.37
TERT O14746 3/20 0.36
POT1 Q9NUX5 1/20 0.36
TP53 P04637 1/20 0.36

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
SCHEMBL14113540 0.88 PPARG (0.40) HRH3KCNH2PPARGTP53
SCHEMBL14228334 0.87 TERT (0.39) HRH3KCNH2TERTPOT1
SCHEMBL14113710 0.86 PPARG (0.40) HRH3KCNH2PPARGTP53
SCHEMBL9922173 0.84 P2RY12 (0.49) HRH3KCNH2ADRA1ATERTPOT1
SCHEMBL9922172 0.84 P2RY12 (0.49) HRH3KCNH2ADRA1ATERTPOT1
SCHEMBL13182848 0.83 HRH3 (0.40) HRH3KCNH2ADRA1ATERTPOT1
SCHEMBL14228338 0.82 TSHR (0.40)
SCHEMBL9923217 0.81 HRH3 (0.47) HRH3KCNH2ADRA1APPARGTERT
SCHEMBL12161445 0.80 P2RY12 (0.51) HRH3KCNH2ADRA1APPARGTERT
SCHEMBL12177420 0.80 HRH3 (0.46) HRH3KCNH2ADRA1APPARGTERT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7622474-B2 Asulfonyl(urea, thiourea, guanidine, cyanoguanidine) compounds; cardiovascular disorders; thrombosis PORTOLA PHARMACEUTICALS, INC. (US) 2009-11-24 US disclosed