SCHEMBL7583633

SCHEMBL7583633

CCN1CCN(c2cc(-c3ccccc3)c(OC)c(S(N)(=O)=O)c2)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 1/20 0.45
ADORA1 P30542 1/20 0.45
CHRNA7 P36544 1/20 0.45
DRD3 P35462 3/20 0.41
HRH3 Q9Y5N1 2/20 0.41
HTR7 P34969 1/20 0.41
CA12 O43570 2/20 0.40
CA9 Q16790 2/20 0.40
DRD2 P14416 2/20 0.40
HTR6 P50406 2/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
KDM2B Q8NHM5 1/20 0.40
APAF1 O14727 1/20 0.39
POLB P06746 1/20 0.39
NT5E P21589 1/20 0.39
KMT2A Q03164 4/20 0.38
MEN1 O00255 3/20 0.38
GAA P10253 2/20 0.38
KDM4E B2RXH2 3/20 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
SCHEMBL7583737 0.90 CHRNA7 (0.46) ADORA2AADORA1CHRNA7DRD3HRH3
SCHEMBL7585188 0.87 CHRNA7 (0.43) ADORA2AADORA1CHRNA7DRD3HRH3
SCHEMBL7582894 0.87 CHRNA7 (0.43) ADORA2AADORA1CHRNA7DRD3HRH3
SCHEMBL7581284 0.86 ADORA2A (0.46) ADORA2AADORA1CHRNA7DRD3HRH3
SCHEMBL7583799 0.86 CHRNA7 (0.42) ADORA2AADORA1CHRNA7DRD3HRH3
SCHEMBL7585008 0.86 CHRNA7 (0.57) ADORA2AADORA1CHRNA7DRD3HTR7
SCHEMBL7590736 0.85 CHRNA7 (0.41) ADORA2AADORA1CHRNA7DRD3HRH3
SCHEMBL7586635 0.85 CHRNA7 (0.41) ADORA2AADORA1CHRNA7DRD3HRH3
SCHEMBL7581268 0.83 ADORA2A (0.39) ADORA2AADORA1CHRNA7DRD3HRH3
SCHEMBL7582087 0.82 CHRNA7 (0.50) ADORA2AADORA1CHRNA7DRD3HTR7

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