SCHEMBL7586635

SCHEMBL7586635

CCCCS(=O)(=O)c1cc(N2CCN(CC)CC2)cc(-c2ccccc2)c1OC

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 1/20 0.41
ADORA2A P29274 1/20 0.41
ADORA1 P30542 1/20 0.41
DRD3 P35462 3/20 0.39
HRH3 Q9Y5N1 2/20 0.39
HTR7 P34969 1/20 0.39
DRD2 P14416 2/20 0.37
HTR6 P50406 2/20 0.37
KDM2B Q8NHM5 1/20 0.37
ALDH1A1 P00352 2/20 0.37
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
APAF1 O14727 1/20 0.36
POLB P06746 1/20 0.36
DPP4 P27487 1/20 0.36
KDM4E B2RXH2 1/20 0.35

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
SCHEMBL7585188 0.94 CHRNA7 (0.43) CHRNA7ADORA2AADORA1DRD3HRH3
SCHEMBL7583737 0.91 CHRNA7 (0.46) CHRNA7ADORA2AADORA1DRD3HRH3
SCHEMBL7590736 0.90 CHRNA7 (0.41) CHRNA7ADORA2AADORA1DRD3HRH3
SCHEMBL7581268 0.87 ADORA2A (0.39) CHRNA7ADORA2AADORA1DRD3HRH3
SCHEMBL7583633 0.85 ADORA2A (0.45) CHRNA7ADORA2AADORA1DRD3HRH3
SCHEMBL7582894 0.83 CHRNA7 (0.43) CHRNA7ADORA2AADORA1DRD3HRH3
SCHEMBL7581284 0.82 ADORA2A (0.46) CHRNA7ADORA2AADORA1DRD3HRH3
SCHEMBL7583799 0.82 CHRNA7 (0.42) CHRNA7ADORA2AADORA1DRD3HRH3
SCHEMBL7585008 0.82 CHRNA7 (0.57) CHRNA7ADORA2AADORA1DRD3HTR7
SCHEMBL7587483 0.80 KDM2B (0.41) HTR7DRD2HTR6KDM2BALDH1A1

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