SCHEMBL6998220

SCHEMBL6998220

c1ccc2c(c1)NCC2CCCCN1CCC2(CC1)Oc1ccccc1O2

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 6/20 0.39
DRD2 P14416 1/20 0.36
DRD1 P21728 1/20 0.36
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
ADRA1A P35348 1/20 0.36
HTR6 P50406 1/20 0.36
HRH2 P25021 1/20 0.35
OPRM1 P35372 1/20 0.35
HTR2B P41595 1/20 0.35
SIGMAR1 Q99720 1/20 0.34

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
SCHEMBL8555156 0.78 SIGMAR1 (0.47) DRD2HTR2AOPRM1SIGMAR1
SCHEMBL2264555 0.78 SIGMAR1 (0.41) HTR7SIGMAR1
SCHEMBL7434969 0.78 GRIN1 (0.53)
SCHEMBL8690038 0.76 SIGMAR1 (0.40) SIGMAR1
SCHEMBL30298388 0.74 SIGMAR1 (0.39) HTR7HRH2OPRM1HTR2BSIGMAR1
SCHEMBL9368508 0.74 HTR1A (0.59)
SCHEMBL9368605 0.73 ADRA1B (0.47) HTR7DRD2HTR2AHTR2CADRA1A
Oxalic Acid SCHEMBL7444195 0.72 OPRL1 (0.38) OPRM1SIGMAR1
SCHEMBL6999552 0.71 DRD2 (0.58) DRD2
SCHEMBL9368019 0.70 DRD4 (0.63) HTR7DRD2ADRA1ASIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0859004-B1 Piperidine derivatives having anxiolytic effect LUNDBECK & CO AS H (DK) 2003-05-02 EP disclosed
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