SCHEMBL8205657

SCHEMBL8205657

C=CCC1CCCCC1(c1ccsc1)N1CCCCC1

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PRCP P42785 1/20 0.37
GAA P10253 2/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.34
MAPK1 P28482 1/20 0.34
SLC6A2 P23975 6/20 0.33
SLC6A4 P31645 6/20 0.33
SLC6A3 Q01959 1/20 0.33
CHRM1 P11229 1/20 0.33
SLC6A9 P48067 3/20 0.32
SIGMAR1 Q99720 3/20 0.32

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
SCHEMBL8205125 0.79 PRCP (0.49) PRCPGAAMAPTHPGDMAPK1
SCHEMBL8558759 0.79 PRCP (0.49) PRCPGAAMAPTHPGDMAPK1
SCHEMBL6596909 0.77 PRCP (0.42) PRCPSLC6A2SLC6A4SLC6A3CHRM1
Hydrochloric Acid SCHEMBL8183271 0.76 PRCP (0.41) PRCPSLC6A2SLC6A4SLC6A3CHRM1
SCHEMBL8560436 0.74 PRCP (0.40) PRCPGAAMAPTHPGDMAPK1
SCHEMBL8520711 0.74 PRCP (0.40) PRCPGAAMAPTHPGDMAPK1
SCHEMBL28764487 0.65 SIGMAR1 (0.52) PRCPSLC6A2SLC6A4SLC6A3SIGMAR1
SCHEMBL30295320 0.59 ESR1 (0.45) MAPTCHRM1SLC6A9
SCHEMBL8205659 0.59 CHRNB2 (0.41) SLC6A4SIGMAR1
Gacyclidine SCHEMBL3457748 0.57 SIGMAR1 (0.57) PRCPSLC6A2SLC6A4SLC6A3CHRM1

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
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 claimed
WO-1998003498-A1 THIENYLCYCLOHEXANE DERIVATIVES FOR THIENYLCYCLOHEXYL SYNTHESIS SOCIETE D'EXPANSION SCIENTIFIQUE EXPANSIA (FR) 1998-01-29 WO claimed
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