SCHEMBL7583532

SCHEMBL7583532

CCN1CCN(c2ccccc2NS(=O)(=O)c2cccc(-c3ccccc3)c2OC)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCOLN2 Q8IZK6 1/20 0.49
MCOLN3 Q8TDD5 1/20 0.49
MCOLN1 Q9GZU1 1/20 0.49
APAF1 O14727 2/20 0.44
ERAP2 Q6P179 1/20 0.44
ERAP1 Q9NZ08 1/20 0.44
HTR7 P34969 3/20 0.42
DRD2 P14416 5/20 0.42
DRD3 P35462 5/20 0.42
DRD4 P21917 3/20 0.42
HTR1A P08908 2/20 0.42
ADRA2A P08913 2/20 0.42
DRD1 P21728 2/20 0.42
DRD5 P21918 2/20 0.42
HTR2A P28223 2/20 0.42
ADRA1A P35348 2/20 0.42
MITF O75030 2/20 0.41
ALDH1A1 P00352 3/20 0.41
TSHR P16473 2/20 0.41
LMNA P02545 1/20 0.41

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
SCHEMBL7958096 0.76 HTR7 (0.42) HTR7DRD2DRD3DRD4HTR1A
SCHEMBL7583799 0.71 CHRNA7 (0.42) APAF1HTR7DRD2DRD3MITF
SCHEMBL7583737 0.70 CHRNA7 (0.46) APAF1HTR7DRD2DRD3DRD4
SCHEMBL7583633 0.70 ADORA2A (0.45) APAF1HTR7DRD2DRD3ALDH1A1
SCHEMBL30232800 0.69 MCOLN3 (0.53) MCOLN2MCOLN3MCOLN1APAF1DRD2
SCHEMBL7583540 0.69 FABP4 (0.39) DRD2DRD3HTR2AALDH1A1MAPT
SCHEMBL7585188 0.68 CHRNA7 (0.43) APAF1HTR7DRD2DRD3DRD4
SCHEMBL7582894 0.68 CHRNA7 (0.43) APAF1HTR7DRD2DRD3ALDH1A1
SCHEMBL7581592 0.68 P2RX7 (0.39)
SCHEMBL7581284 0.67 ADORA2A (0.46) DRD2DRD3MITFALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0675118-B1 Biphenylderivatives, process for their preparation and their use as medicaments EISAI CO LTD (JP) 2002-10-09 EP claimed
EP-0675118-A2 Biphenylderivatives, process for their preparation and their use as medicaments Eisai Co., Ltd. (JP) 1995-10-04 EP claimed
EP-0675118-B1 Biphenylderivatives, process for their preparation and their use as medicaments EISAI CO LTD (JP) 2002-10-09 EP disclosed
US-6281214-B1 USEFUL FOR TREATING AND AMELIORATING MENTAL DISORDERS EISAI CO., LTD (JP) 2001-08-28 US disclosed
US-5849912-A Biphenyl derivatives EISAI CO., LTD. (JP) 1998-12-15 US disclosed
EP-0675118-A2 Biphenylderivatives, process for their preparation and their use as medicaments Eisai Co., Ltd. (JP) 1995-10-04 EP disclosed