SCHEMBL7536992

SCHEMBL7536992

CCS(=O)(=O)NC1Cc2cc(F)ccc2OC1(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNE1 P15382 4/20 0.43
KCNQ1 P51787 4/20 0.43
HIF1A Q16665 1/20 0.35
HTR2A P28223 3/20 0.33
AKR1B1 P15121 2/20 0.33
DRD3 P35462 2/20 0.33
DRD2 P14416 2/20 0.33
MLNR O43193 1/20 0.33
ADRB2 P07550 1/20 0.33
ADRB1 P08588 1/20 0.33
HTR1A P08908 1/20 0.33
ADRA2A P08913 1/20 0.33
ADORA3 P0DMS8 1/20 0.33
CHRM1 P11229 1/20 0.33
ADRA2B P18089 1/20 0.33
ADRA2C P18825 1/20 0.33
CNR1 P21554 1/20 0.33
SLC6A2 P23975 1/20 0.33
NPY1R P25929 1/20 0.33
HTR2C P28335 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
SCHEMBL6558669 0.80 MGAM (0.33)
SCHEMBL6561204 0.75 HIF1A (0.44) HIF1ADRD3DRD2ADRB2HTR1A
SCHEMBL23746417 0.73 HIF1A (0.52) KCNE1KCNQ1HIF1AHTR2AAKR1B1
SCHEMBL6559589 0.71 TRPV1 (0.52) KCNE1KCNQ1TRPV1
SCHEMBL9692756 0.69 HIF1A (0.37) KCNE1KCNQ1HIF1AHTR2AAKR1B1
SCHEMBL9692570 0.69 KCNE1 (0.38) KCNE1KCNQ1HIF1AHTR2AAKR1B1
SCHEMBL6561014 0.69 KCNE1 (0.48) KCNE1KCNQ1KCND3TRPV1
Hydrochloric Acid SCHEMBL9690368 0.68 HIF1A (0.36) KCNE1KCNQ1HIF1AHTR2ADRD2
SCHEMBL9692444 0.68 HIF1A (0.39) KCNE1KCNQ1HIF1AAKR1B1OPRM1
SCHEMBL19894360 0.68 KCNE1 (0.39) KCNE1KCNQ1AKR1B1CA2TRPV1

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