SCHEMBL6560799

SCHEMBL6560799

CCS(=O)(=O)NC1CC(C)(C)Oc2ccc(-c3ccccc3)cc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2B P41595 2/20 0.42
TMEM97 Q5BJF2 2/20 0.42
SIGMAR1 Q99720 2/20 0.42
HTR1A P08908 1/20 0.42
TRPV1 Q8NER1 8/20 0.38
CTSD P07339 2/20 0.38
BACE1 P56817 2/20 0.38
BACE2 Q9Y5Z0 1/20 0.38
KCNA5 P22460 1/20 0.37
HTR7 P34969 1/20 0.37
SIRT2 Q8IXJ6 3/20 0.36
CYP3A4 P08684 2/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
KCNH2 Q12809 1/20 0.35
DAGLA Q9Y4D2 1/20 0.35
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
HTT P42858 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
SCHEMBL6559192 0.91 TRPV1 (0.37) HTR2BTMEM97SIGMAR1HTR1ATRPV1
SCHEMBL6559509 0.85 TRPV1 (0.45) TRPV1KCNA5ALDH1A1PFKFB3
SCHEMBL6558641 0.83 TRPV1 (0.39) HTR2BSIGMAR1HTR1ATRPV1CTSD
SCHEMBL6559589 0.82 TRPV1 (0.52) TRPV1CYP3A4
SCHEMBL6560806 0.82 KCNA5 (0.44) TRPV1CTSDBACE1BACE2KCNA5
SCHEMBL6560445 0.81 KCNA5 (0.44) TRPV1CTSDBACE1BACE2KCNA5
SCHEMBL6602406 0.81 KCNE1 (0.52) HTR2BTMEM97SIGMAR1CTSDBACE1
SCHEMBL6560790 0.79 SIRT2 (0.44) TRPV1KCNA5SIRT2ALDH1A1MAPT
SCHEMBL6560820 0.78 KCNA5 (0.36) TRPV1KCNA5SIRT2CYP2D6
SCHEMBL6559931 0.77 KCNA5 (0.44) TRPV1CTSDBACE1KCNA5SIRT2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1204134-C Sulfamine-substituted benzodihydopyran, preparation method, use as medicine or diagnostic reagent and medicine containing same HOECHST AG (DE) 2005-06-01 CN disclosed
EP-0807629-B1 Sulfonamido substituted chromane derivatives, method for their preparation, their use as medicaments or diagnostic agents aswell as medicaments containing them AVENTIS PHARMA GMBH (DE) 2004-03-03 EP disclosed
US-6191164-B1 POTASSIUM CHANNEL MODULATORS; ANTIULCER AGENTS HOECHST AKTIENGESELLSCHAFT (DE) 2001-02-20 US disclosed
CN-1169429-A Sulfamine-substituted benzodihydopyran, preparation method, use as medicine or diagnostic reagent and medicine containing same HOECHST AG (DE) 1998-01-07 CN disclosed
EP-0807629-A1 Sulfonamido substituted chromane derivatives, method for their preparation, their use as medicaments or diagnostic agents aswell as medicaments containing them HOECHST AKTIENGESELLSCHAFT (DE) 1997-11-19 EP disclosed