SCHEMBL7479633

SCHEMBL7479633

CCS(=O)(=O)N(CC(=O)NC(=N)N)C1CC(C)(C)Oc2ccc(F)cc21

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KCNE1 P15382 3/20 0.43
KCNQ1 P51787 3/20 0.43
TRPV1 Q8NER1 15/20 0.40
CYP3A4 P08684 1/20 0.35
CFTR P13569 1/20 0.34
AKR1B1 P15121 1/20 0.33

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
SCHEMBL7474635 0.88 KCNE1 (0.48) KCNE1KCNQ1TRPV1CYP3A4CFTR
SCHEMBL7468526 0.85 KCNE1 (0.49) KCNE1KCNQ1TRPV1CYP3A4AKR1B1
SCHEMBL7473039 0.84 KCNE1 (0.47) KCNE1KCNQ1TRPV1CYP3A4CFTR
SCHEMBL7472489 0.84 KCNE1 (0.48) KCNE1KCNQ1TRPV1CYP3A4CFTR
SCHEMBL14256398 0.83 KCNE1 (0.45) KCNE1KCNQ1TRPV1CYP3A4
SCHEMBL4621983 0.83 KCNE1 (0.45) KCNE1KCNQ1TRPV1CYP3A4
SCHEMBL4623467 0.82 TRPV1 (0.42) KCNE1KCNQ1TRPV1CYP3A4
SCHEMBL7474303 0.82 TRPV1 (0.46) KCNE1KCNQ1TRPV1
SCHEMBL7470001 0.82 KCNE1 (0.42) KCNE1KCNQ1TRPV1CYP3A4
SCHEMBL6559266 0.82 KCNE1 (0.52) KCNE1KCNQ1TRPV1CYP3A4AKR1B1

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