SCHEMBL6992879

SCHEMBL6992879

C[CH]OCc1coc2ccccc12

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.46
MAOB P27338 3/20 0.45
PSMB5 P28074 3/20 0.40
PSMB8 P28062 2/20 0.40
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C8 P10632 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2B6 P20813 1/20 0.39
CYP2C19 P33261 1/20 0.39
KCNH2 Q12809 1/20 0.39
MAOA P21397 1/20 0.38
CYP17A1 P05093 1/20 0.38
CYP19A1 P11511 1/20 0.38
CYP11B1 P15538 1/20 0.38
CYP11B2 P19099 1/20 0.38
IL4I1 Q96RQ9 1/20 0.38

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
SCHEMBL2097201 0.83 CA2 (0.44) CA2MAOBPSMB5PSMB8CYP1A2
SCHEMBL4248680 0.74 MAOB (0.46) CA2MAOBPSMB5PSMB8KCNH2
SCHEMBL6992883 0.74 MAOB (0.46) CA2MAOBPSMB5PSMB8MAOA
SCHEMBL3281151 0.74 MAOB (0.53) CA2MAOBPSMB5PSMB8MAOA
SCHEMBL1252407 0.74 CA2 (0.59) CA2MAOBPSMB5PSMB8MAOA
SCHEMBL28410649 0.72 MAOB (0.49) CA2MAOBPSMB5PSMB8
SCHEMBL6511946 0.71 MAOB (0.71) CA2MAOBPSMB5PSMB8CYP17A1
SCHEMBL1252500 0.71 CA2 (0.51) CA2MAOBPSMB5PSMB8MAOA
SCHEMBL9634215 0.71 CA2 (0.60) CA2MAOBPSMB5PSMB8MAOA
SCHEMBL2094754 0.70 PSMB5 (0.49) CA2MAOBPSMB5PSMB8MAOA

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 11 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
US-5807871-A PSYCHOLOGICAL DISORDERS, ALZHEIMER OR PARKINSON DISEASE H. LUNDBECK A/S (DK) 1998-09-15 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-0593511-A1 PIPERIDINE DERIVATES HAVING ANXIOLYTIC EFFECT H. LUNDBECK A/S (DK) 1994-04-27 EP disclosed
WO-1992022554-A1 PIPERIDINE DERIVATES HAVING ANXIOLYTIC EFFECT H. LUNDBECK A/S (DK) 1992-12-23 WO disclosed
EP-0518805-A1 Piperidine derivatives H. LUNDBECK A/S (DK) 1992-12-16 EP disclosed