SCHEMBL6596358

SCHEMBL6596358

ClCCCCC(Cl)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.42
HRH1 P35367 6/20 0.39
HTR2A P28223 6/20 0.39
SIGMAR1 Q99720 3/20 0.37
SMN1; SMN2 Q16637 1/20 0.35
TAAR1 Q96RJ0 2/20 0.34
POLB P06746 1/20 0.33
FYN P06241 1/20 0.33
ABL1 P00519 1/20 0.33
SRC P12931 1/20 0.33
TBXAS1 P24557 1/20 0.33
CYP19A1 P11511 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
SCHEMBL28811244 0.98 TSHR (0.41) TSHRHRH1HTR2ASIGMAR1SMN1; SMN2
SCHEMBL2408107 0.93 TSHR (0.44) TSHRHRH1HTR2ASIGMAR1SMN1; SMN2
SCHEMBL22042223 0.91 TSHR (0.50) TSHRHRH1HTR2ASIGMAR1TAAR1
SCHEMBL3218900 0.84 TSHR (0.48) TSHRHRH1HTR2ATAAR1
SCHEMBL22042229 0.81 TSHR (0.55) TSHRHRH1HTR2ATAAR1
SCHEMBL7295713 0.81 TSHR (0.41) TSHRHRH1HTR2ASIGMAR1TAAR1
SCHEMBL8995497 0.81 TSHR (0.41) TSHRHRH1HTR2ASIGMAR1TAAR1
SCHEMBL4770684 0.81 HRH1 (0.42) TSHRHRH1HTR2ASIGMAR1TAAR1
SCHEMBL4306863 0.81 SIGMAR1 (0.44) TSHRHRH1HTR2ASIGMAR1POLB
SCHEMBL9503361 0.79

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-0915867-B1 THIENYLCYCLOHEXANE DERIVATIVES FOR THIENYLCYCLOHEXYL SYNTHESIS SOD CONSEILS RECH APPLIC (FR) 2004-10-06 EP disclosed
US-6107495-A REACTING SPECIFIED 1-(2- OR 3-THIENYL) CYCLOHEXANES WITH A 1,5-DIHALOPENTANE TO FORM CYCLIC (THIENYLCYCLOHEXYL)AMINES SUCH AS 2-ALKYL-(3-THIENYL)CYCLOHEXYL PIPERIDINE; USE AS INTERMEDIATES TO RADIOACTIVE LABELLED MOLECULES SOCIETE D'EXPANSION SCIENTIFIQUE EXPANSIA (FR) 2000-08-22 US disclosed
EP-0915867-A1 THIENYLCYCLOHEXANE DERIVATIVES FOR THIENYLCYCLOHEXYL SYNTHESIS Société de Conseils de Recherches et d'Applications Scientifiques ( S.C.R.A.S.) (FR) 1999-05-19 EP disclosed
WO-1998003498-A1 THIENYLCYCLOHEXANE DERIVATIVES FOR THIENYLCYCLOHEXYL SYNTHESIS SOCIETE D'EXPANSION SCIENTIFIQUE EXPANSIA (FR) 1998-01-29 WO disclosed