SCHEMBL13633805

SCHEMBL13633805

O=C(Nc1ccc(N2C(=O)Cc3cc(CCCCN4CCCCC4)ccc3C2=O)cc1)NS(=O)(=O)c1cc(Cl)c(Cl)s1

nearest known ligand 0.37

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 15/20 0.37
KCNH2 Q12809 1/20 0.35
PTGER3 P43115 4/20 0.35

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
SCHEMBL9923239 0.89 HRH3 (0.37) HRH3KCNH2PTGER3
SCHEMBL9923241 0.89 HRH3 (0.36) HRH3KCNH2PTGER3
SCHEMBL9922811 0.88 PTGER3 (0.37) HRH3PTGER3
SCHEMBL12161516 0.87 PTGER3 (0.37) HRH3PTGER3
SCHEMBL9922365 0.85 PTGER3 (0.40) PTGER3
SCHEMBL12177102 0.82 HRH3 (0.39) HRH3KCNH2PTGER3
SCHEMBL9923245 0.82 CRHBP (0.39) PTGER3
SCHEMBL9922192 0.82 PTGER3 (0.44) PTGER3
SCHEMBL9922203 0.81 P2RY12 (0.40) PTGER3
SCHEMBL9922838 0.81 SMN1; SMN2 (0.39) PTGER3

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