SCHEMBL7585002

SCHEMBL7585002

CCN1CCN(c2cc(C(=O)c3ccccn3)c(OC)c(-c3ccccc3)c2)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 3/20 0.42
HTR2A P28223 2/20 0.42
DRD3 P35462 2/20 0.42
RAD52 P43351 1/20 0.42
ADORA2A P29274 1/20 0.41
ADORA1 P30542 1/20 0.41
IKBKB O14920 1/20 0.41
ALDH1A1 P00352 3/20 0.40
KDM4E B2RXH2 2/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
KMT2A Q03164 2/20 0.40
DRD2 P14416 1/20 0.39
ADRA1A P35348 1/20 0.39
TUBB4A P04350 1/20 0.39
TUBB P07437 1/20 0.39
TUBA3C P0DPH7 1/20 0.39
TUBA1B P68363 1/20 0.39
TUBA4A P68366 1/20 0.39
TUBB4B P68371 1/20 0.39

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
SCHEMBL7585557 0.83 CHRNA7 (0.45) HTR1ADRD3RAD52ADORA2AADORA1
SCHEMBL7582521 0.83 POLB (0.45) DRD3RAD52ALDH1A1KDM4ERAB9A
SCHEMBL7582058 0.81 KMT2A (0.46) HTR1ADRD3ADORA2AADORA1ALDH1A1
SCHEMBL7585008 0.80 CHRNA7 (0.57) DRD3RAD52ADORA2AADORA1ALDH1A1
SCHEMBL7586804 0.77 CHRNA7 (0.50) DRD3ADORA2AADORA1ALDH1A1KDM4E
SCHEMBL7582941 0.76 CHRNA7 (0.49) DRD3ADORA2AADORA1ALDH1A1KDM4E
SCHEMBL7582087 0.74 CHRNA7 (0.50) DRD3RAD52ADORA2AADORA1ALDH1A1
SCHEMBL7583650 0.74 CHRNA7 (0.42) HTR1ADRD3ADORA2AADORA1ALDH1A1
SCHEMBL7584437 0.74 CHRNA7 (0.47) DRD3ADORA2AADORA1ALDH1A1KDM4E
SCHEMBL7585478 0.74 CHRNA7 (0.47) DRD3ADORA2AADORA1ALDH1A1KDM4E

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 5 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
EP-0675118-A2 Biphenylderivatives, process for their preparation and their use as medicaments Eisai Co., Ltd. (JP) 1995-10-04 EP disclosed