SCHEMBL6993388

SCHEMBL6993388

OCCCCc1nn(-c2ccc(F)cc2)c2ccc(C(F)(F)F)cc12

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 2/20 0.44
CCR1 P32246 4/20 0.40
NR3C1 P04150 4/20 0.38
PGR P06401 1/20 0.38
SRC P12931 2/20 0.37
BRAF P15056 2/20 0.37
KDR P35968 2/20 0.37
KDM4E B2RXH2 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
MAPK14 Q16539 1/20 0.34
TLR8 Q9NR97 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP11B1 P15538 1/20 0.34
CYP11B2 P19099 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
SCHEMBL4793532 0.79 SCN9A (0.57) SCN9ACCR1NR3C1PGRSRC
SCHEMBL4792886 0.74 SCN9A (0.54) SCN9ACCR1NR3C1PGRSRC
SCHEMBL4794087 0.71 SCN9A (0.42) SCN9ANR3C1CYP1A2
SCHEMBL4792972 0.71 SCN9A (0.42) SCN9ACCR1CYP1A2
SCHEMBL8692410 0.70 SCN9A (0.43) SCN9ACCR1NR3C1PGRKDM4E
SCHEMBL5317824 0.70 KCNK3 (0.39) CYP1A2
SCHEMBL25229143 0.70 GRIA2 (0.45) SCN9ACCR1
SCHEMBL30469087 0.70 GRIA2 (0.45) SCN9ACCR1
SCHEMBL5316868 0.70 KCNK3 (0.38) CYP1A2
SCHEMBL25678095 0.69 SCN9A (0.46) SCN9ASRC

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 10 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-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