SCHEMBL8544064

SCHEMBL8544064

C1=C(c2cccc3c2OCCO3)CCN(Cc2ccccc2)C1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 10/20 0.51
DRD2 P14416 6/20 0.51
HTR2A P28223 1/20 0.51
HTT P42858 1/20 0.51
SLC6A4 P31645 4/20 0.48
DRD4 P21917 4/20 0.47
DRD3 P35462 4/20 0.47
OPRM1 P35372 1/20 0.47
OPRK1 P41145 1/20 0.47
HTR6 P50406 1/20 0.45
CYP2D6 P10635 1/20 0.44

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
SCHEMBL9326100 0.81 HTR1A (0.51) HTR1ADRD2SLC6A4DRD4
SCHEMBL9326213 0.81 HTR1A (0.47) HTR1ADRD2SLC6A4DRD4
SCHEMBL11270603 0.77 DRD2 (0.57) HTR1ADRD2HTR2AHTTDRD4
Hydrochloric Acid SCHEMBL11193593 0.77 DRD2 (0.57) HTR1ADRD2HTR2AHTTDRD4
SCHEMBL7805127 0.77 CYP2D6 (0.58) HTR1ADRD2HTR2AHTTDRD4
SCHEMBL6042752 0.76 DRD2 (0.63) HTR1ADRD2HTR2AHTTDRD4
SCHEMBL6043002 0.75 DRD2 (0.59) HTR1ADRD2HTR2AHTTDRD4
SCHEMBL2395487 0.75 DRD2 (0.59) HTR1ADRD2HTR2AHTTDRD4
SCHEMBL615291 0.74 DRD2 (0.47) HTR1ADRD2HTR2AHTTDRD4
SCHEMBL8142426 0.74 DRD2 (0.47) HTR1ADRD2HTR2AHTTDRD4

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5242933-A Hypotensive agents ADIR ET COMPAGNIE (FR) 1993-09-07 US claimed
EP-0711291-B1 N-(PIPERIDINYL-1-ALKYL)-SUBSTITUTED CYCLOHEXANE CARBOXYLIC ACID AMIDES AS 5-HT1A RECEPTOR ANTAGONISTS WYETH JOHN & BROTHER LTD (GB) 1998-11-25 EP disclosed
US-5763460-A N-(piperidinyl-1-alkyl)-substituted cyclohexane carboxylic acid amides as 5-htia receptor antagonists JOHN WYETH & BROTHER LIMITED (US) 1998-06-09 US disclosed
US-5292761-A Piperidine, tetrahydropyridine and pyrrolidine compounds ADIR ET COMPAGNIE (FR) 1994-03-08 US disclosed
US-5278185-A Piperidine, Tetrahydropyridine and pyrrolidine compounds ADIR ET COMPAGNIE (FR) 1994-01-11 US disclosed
US-5260317-A Hypotensive agents ADIR ET COMPAGNIE (FR) 1993-11-09 US disclosed
US-5250544-A Hypotensive agents ADIR ET COMPAGNIE (FR) 1993-10-05 US disclosed
US-5242933-A Hypotensive agents ADIR ET COMPAGNIE (FR) 1993-09-07 US disclosed
US-5240942-A Hypotensive agents; 5-hydroxytryptamine antagonist ADIR ET COMPAGNIE (FR) 1993-08-31 US disclosed