SCHEMBL6161696

SCHEMBL6161696

Clc1cnn(CCCCN2CC=C(c3cccc4ccccc34)CC2)c1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 5/20 0.45
HTR1A P08908 3/20 0.45
SLC6A4 P31645 2/20 0.45
HTR7 P34969 2/20 0.45
HTR6 P50406 2/20 0.45
SIGMAR1 Q99720 2/20 0.44
PARP1 P09874 3/20 0.42
HTR1D P28221 1/20 0.42
HTR1B P28222 1/20 0.42

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
SCHEMBL5847491 0.84 SIGMAR1 (0.58) DRD2HTR1ASIGMAR1PARP1
SCHEMBL5846299 0.84 SIGMAR1 (0.55) DRD2HTR1ASIGMAR1PARP1
SCHEMBL5848161 0.82 SIGMAR1 (0.60) HTR1ASIGMAR1PARP1
Hydrochloric Acid SCHEMBL6165778 0.82 SIGMAR1 (0.59) DRD2HTR1AHTR7SIGMAR1PARP1
SCHEMBL5846267 0.81 SIGMAR1 (0.60) DRD2HTR1AHTR7SIGMAR1PARP1
SCHEMBL9032203 0.79 HTR1D (0.49) DRD2HTR1ASLC6A4HTR7HTR6
Hydrochloric Acid SCHEMBL7115716 0.79 SIGMAR1 (0.56) DRD2HTR1AHTR7SIGMAR1PARP1
SCHEMBL5847759 0.79 SIGMAR1 (0.56) DRD2HTR1AHTR7SIGMAR1PARP1
SCHEMBL9031902 0.78 HTR1D (0.50) DRD2HTR1ASIGMAR1PARP1HTR1D
SCHEMBL9030998 0.78 HTR1D (0.50) DRD2HTR1ASIGMAR1PARP1HTR1D

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-0721455-B9 TETRAHYDROPYRIDINE-(OR 4-HYDROXYPIPERIDINE)ALKYLAZOLES HAVING AN AFFINITY FOR SIGMA AND/OR 5HT1A RECEPTORS ESTEVE LABOR DR (ES) 2005-04-20 EP claimed
EP-1097698-B1 UTILIZATION OF DERIVATIVES OF TETRAHYDROPYRIDINES (OR 4-HYDROXYPIPERIDINES)-BUTYLAZOLS IN THE PREPARATION OF A MEDICAMENT FOR THE TREATMENT OF PAIN ESTEVE LABOR DR (ES) 2003-05-07 EP claimed
EP-0721455-B1 TETRAHYDROPYRIDINE-(OR 4-HYDROXYPIPERIDINE)ALKYLAZOLES HAVING AN AFFINITY FOR SIGMA AND/OR 5HT1A RECEPTORS ESTEVE LABOR DR (ES) 2002-12-11 EP claimed
US-6232329-B1 POSSESSING THERAPEUTIC ACTIVITY FOR THE TREATMENT OF ANXIETY, PSYCHOSIS, EPILEPSY, CONVULSION, MOTORICITY PROBLEMS, AMNESIA, CEREBROVASCULAR DISEASES OR SENILE DEMENTIA LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2001-05-15 US claimed