SCHEMBL7468844

SCHEMBL7468844

CCS(=O)(=O)N(CC(=O)Nc1cnccn1)C1CC(C)(C)Oc2ccc(F)cc21

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 13/20 0.42
CYP3A4 P08684 3/20 0.42
KCNE1 P15382 3/20 0.40
KCNQ1 P51787 3/20 0.40
PSMB5 P28074 1/20 0.38
KMT2A Q03164 1/20 0.35
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CYP2D6 P10635 1/20 0.34

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
SCHEMBL7464041 0.89 SMN1; SMN2 (0.46) TRPV1CYP3A4KCNE1KCNQ1PSMB5
SCHEMBL7478341 0.87 ALDH1A1 (0.48) TRPV1CYP3A4KCNE1KCNQ1KMT2A
SCHEMBL7470001 0.86 KCNE1 (0.42) TRPV1CYP3A4KCNE1KCNQ1CYP2D6
SCHEMBL4623467 0.86 TRPV1 (0.42) TRPV1CYP3A4KCNE1KCNQ1ALDH1A1
SCHEMBL7477267 0.85 ALDH1A1 (0.43) TRPV1KCNE1KCNQ1KMT2AALDH1A1
SCHEMBL7476073 0.84 KCNE1 (0.40) TRPV1CYP3A4KCNE1KCNQ1KMT2A
SCHEMBL7476659 0.83 KCNE1 (0.40) TRPV1CYP3A4KCNE1KCNQ1
SCHEMBL7468807 0.82 KCNE1 (0.40) TRPV1CYP3A4KCNE1KCNQ1KMT2A
SCHEMBL7464899 0.82 KCNE1 (0.40) TRPV1CYP3A4KCNE1KCNQ1KMT2A
SCHEMBL7468526 0.80 KCNE1 (0.49) TRPV1CYP3A4KCNE1KCNQ1

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-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
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