SCHEMBL7440266

SCHEMBL7440266

c1ccc2c(c1)COCC21CCN(CCCCCCc2c[nH]c3ccccc23)CC1

nearest known ligand 0.71

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 8/20 0.55
DRD2 P14416 3/20 0.55
HTR2A P28223 2/20 0.55
SLC6A4 P31645 2/20 0.55
HRH1 P35367 2/20 0.55
DRD3 P35462 2/20 0.55
HTR7 P34969 1/20 0.55
OPRL1 P41146 1/20 0.54
DRD4 P21917 1/20 0.50
HTR2B P41595 1/20 0.50

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
SCHEMBL7428553 1.00 HTR1A (0.55) HTR1ADRD2HTR2ASLC6A4HRH1
SCHEMBL7431242 0.99 HTR1A (0.56) HTR1ADRD2HTR2ASLC6A4HRH1
SCHEMBL7441338 0.83 SIGMAR1 (0.59) HTR1ADRD2HTR2ASLC6A4HRH1
SCHEMBL8553726 0.82 SIGMAR1 (0.56)
SCHEMBL9372029 0.79 DRD2 (0.60) HTR1ADRD2HTR2ASLC6A4HRH1
SCHEMBL7436502 0.79 SIGMAR1 (0.56) OPRL1
SCHEMBL7435741 0.75 HTR1A (0.60) HTR1ADRD2HTR2ASLC6A4HRH1
SCHEMBL7441303 0.75 HTR1A (0.64) HTR1ADRD2HTR2ASLC6A4HRH1
SCHEMBL5170230 0.74 HTR1A (0.81) HTR1ADRD2HTR2ASLC6A4HRH1
SCHEMBL6993758 0.74 TMEM97 (0.75)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6207677-B1 ADMINISERING SIGMA RECEPTOR BINDING PIPERIDINE DERIVATIVE FOR TREATING ANXIETY, EPILEPSY, CONVULSION, MOVEMENT DISORDER, AMNESIA H. LUNDBECK A/S (DK) 2001-03-27 US disclosed
US-6031099-A Piperidine derivates having anxiolytic effect H. LUNDBECK A/S (DK) 2000-02-29 US disclosed
EP-0593511-B1 PIPERIDINE DERIVATES HAVING ANXIOLYTIC EFFECT LUNDBECK & CO AS H (DK) 1998-09-02 EP disclosed
EP-0859004-A1 Piperidine derivatives having anxiolytic effect H. LUNDBECK A/S (DK) 1998-08-19 EP disclosed
EP-0853085-A1 Piperidine derivatives having anxiolytic effect H. LUNDBECK A/S (DK) 1998-07-15 EP disclosed
US-5665725-A Piperidine derivatives having anxiolytic effect Lundbeck, H. (DK) 1997-09-09 US disclosed
EP-0518805-A1 Piperidine derivatives H. LUNDBECK A/S (DK) 1992-12-16 EP disclosed