SCHEMBL7581935

SCHEMBL7581935

CCC(F)c1cc(N2CCN(CCCCCO)CC2)cc(Br)c1Cl

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.40
GAA P10253 1/20 0.40
KCNH2 Q12809 6/20 0.38
LMNA P02545 1/20 0.34
DRD2 P14416 4/20 0.34
DRD4 P21917 3/20 0.34
HTR7 P34969 2/20 0.34
HTR1A P08908 1/20 0.34
HTR2A P28223 1/20 0.34
HTR6 P50406 1/20 0.34
SUV39H2 Q9H5I1 1/20 0.33

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
SCHEMBL7581291 1.00 KDM4E (0.40) KDM4EGAAKCNH2LMNADRD2
SCHEMBL7582141 0.99 KDM4E (0.38) KDM4EGAAKCNH2LMNADRD2
SCHEMBL7586573 0.96 KDM4E (0.36) KDM4EGAAKCNH2DRD2DRD4
SCHEMBL7582764 0.91 DRD2 (0.38) KDM4EGAADRD2
SCHEMBL7582136 0.86 DRD2 (0.33) DRD2
SCHEMBL7581302 0.80 SLC6A2 (0.33) KDM4EGAA
SCHEMBL7586137 0.78 DRD2 (0.39) KDM4EGAADRD2
SCHEMBL7591694 0.78 DRD2 (0.39) DRD2DRD4HTR1A
SCHEMBL7584423 0.78 DRD2 (0.39) KDM4EGAADRD2
SCHEMBL7955773 0.78 SLC6A2 (0.34) DRD2

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 3 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 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