SCHEMBL7469856

SCHEMBL7469856

CCC1(CC)CC(N)c2cc(C)ccc2O1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR2B P41595 3/20 0.43
HTR2C P28335 2/20 0.43
HTR1A P08908 1/20 0.43
SLC6A2 P23975 1/20 0.43
SIGMAR1 Q99720 1/20 0.43
TRPV1 Q8NER1 10/20 0.33
GAA P10253 1/20 0.33
HTR2A P28223 1/20 0.33
AKR1B1 P15121 1/20 0.32
LMNA P02545 1/20 0.31
MAOB P27338 3/20 0.31
CYP3A4 P08684 1/20 0.31
MAOA P21397 1/20 0.31

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
SCHEMBL3327193 0.84 TRPV1 (0.44) TRPV1CYP3A4
SCHEMBL3327189 0.84 TRPV1 (0.44) TRPV1CYP3A4
SCHEMBL7479500 0.80 HTR2C (0.42) HTR2BHTR2CHTR1ASLC6A2SIGMAR1
SCHEMBL20616572 0.80 TRPV1 (0.39) TRPV1LMNAMAOBMAOA
SCHEMBL15075066 0.80 TRPV1 (0.39) TRPV1LMNAMAOBMAOA
SCHEMBL27492224 0.78 HTR1A (0.37) HTR2BHTR2CHTR1ASLC6A2SIGMAR1
Hydrochloric Acid SCHEMBL6561142 0.78 HTR2C (0.41) HTR2BHTR2CHTR1ASLC6A2SIGMAR1
SCHEMBL4350339 0.76 KDM4E (0.48) HTR2BHTR2CHTR1ASLC6A2SIGMAR1
SCHEMBL8476430 0.75 HTR1A (0.36) HTR2BHTR2CHTR1ASLC6A2SIGMAR1
SCHEMBL3319723 0.75 TRPV1 (0.42) HTR2BHTR2CTRPV1HTR2ACYP3A4

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 4 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
CN-1212964-A Sulfonic acid amide substituted benzodihydropyrane processes for their preparation, their use as medicament and pharmaceutical preparations comprising them HOECHST MARION ROUSSEL DE GMBH (DE) 1999-04-07 CN 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