SCHEMBL6596909

SCHEMBL6596909

CC1CCCCC1(c1ccsc1)N1CCCCC1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PRCP P42785 3/20 0.42
CHRM1 P11229 1/20 0.37
SIGMAR1 Q99720 5/20 0.36
SLC6A9 P48067 3/20 0.35
GRIN1 Q05586 2/20 0.33
GRIN2A Q12879 2/20 0.33
GRIN2B Q13224 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
GRIN2D O15399 1/20 0.33
GRIN3B O60391 1/20 0.33
CYP2B6 P20813 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33
KCNH2 Q12809 1/20 0.33
GRIN2C Q14957 1/20 0.33
GRIN3A Q8TCU5 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
Hydrochloric Acid SCHEMBL8183271 0.99 PRCP (0.41) PRCPCHRM1SIGMAR1SLC6A9GRIN1
SCHEMBL23595970 0.80 SIGMAR1 (0.56) PRCPSIGMAR1GRIN1GRIN2AGRIN2B
SCHEMBL5171390 0.80 SIGMAR1 (0.56) PRCPSIGMAR1GRIN1GRIN2AGRIN2B
SCHEMBL24462837 0.80 SIGMAR1 (0.56) PRCPSIGMAR1GRIN1GRIN2AGRIN2B
SCHEMBL8205657 0.77 PRCP (0.37) PRCPCHRM1SIGMAR1SLC6A9SLC6A2
Gacyclidine SCHEMBL7190367 0.76 SIGMAR1 (0.57) PRCPCHRM1SIGMAR1SLC6A9MEN1
Gacyclidine SCHEMBL3457748 0.76 SIGMAR1 (0.57) PRCPCHRM1SIGMAR1SLC6A9MEN1
Gacyclidine SCHEMBL397836 0.76 SIGMAR1 (0.57) PRCPCHRM1SIGMAR1SLC6A9MEN1
Gacyclidine SCHEMBL4465879 0.76 SIGMAR1 (0.57) PRCPCHRM1SIGMAR1SLC6A9MEN1
Gacyclidine SCHEMBL5398234 0.75 SIGMAR1 (0.56) PRCPCHRM1SIGMAR1SLC6A9MEN1

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