SCHEMBL7470195

SCHEMBL7470195

CCS(=O)(=O)N(CCCC(=O)O)C1CC(C)(C)Oc2ccc(F)cc21

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KCNE1 P15382 3/20 0.46
KCNQ1 P51787 3/20 0.46
TRPV1 Q8NER1 14/20 0.40
AKR1B1 P15121 3/20 0.39
CYP3A4 P08684 1/20 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
SCHEMBL6558722 0.90 KCNE1 (0.48) KCNE1KCNQ1TRPV1AKR1B1CYP3A4
SCHEMBL7474755 0.89 KCNE1 (0.43) KCNE1KCNQ1TRPV1CYP3A4
SCHEMBL7468526 0.88 KCNE1 (0.49) KCNE1KCNQ1TRPV1AKR1B1CYP3A4
SCHEMBL7471976 0.86 KCNE1 (0.33) KCNE1KCNQ1AKR1B1CYP3A4
SCHEMBL6559266 0.85 KCNE1 (0.52) KCNE1KCNQ1TRPV1AKR1B1CYP3A4
SCHEMBL6559250 0.85 KCNE1 (0.44) KCNE1KCNQ1TRPV1CYP3A4
SCHEMBL7474635 0.83 KCNE1 (0.48) KCNE1KCNQ1TRPV1AKR1B1CYP3A4
SCHEMBL6559927 0.81 KCNA5 (0.41) KCNE1KCNQ1
SCHEMBL8479232 0.80 KCNE1 (0.47) KCNE1KCNQ1TRPV1AKR1B1CYP3A4
SCHEMBL7473827 0.80 KCNA5 (0.38) KCNE1KCNQ1TRPV1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0905131-B1 Sulfonamid-substituted chromans, process for their preparation, their use as medicine, and pharmaceutical preparation containing them AVENTIS PHARMA GMBH (DE) 2002-04-10 EP disclosed
US-5955607-A TREATING CARDIOVASCULAR AND GASTROINTESTINAL DISORDERS HOECHST MARION ROUSSEL DEUTSCHLAND (DE) 1999-09-21 US disclosed
EP-0905131-A1 Sulfonamid-substituted chromans, process for their preparation, their use as medicine, and pharmaceutical preparation containing them Hoechst Marion Roussel Deutschland GmbH (DE) 1999-03-31 EP disclosed