SCHEMBL7582175

SCHEMBL7582175

Brc1cccc(N2CCNCC2)c1Br

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 4/20 0.54
ADRB1 P08588 5/20 0.53
HTR1A P08908 2/20 0.53
HTR2A P28223 2/20 0.53
HTR7 P34969 2/20 0.53
HTR5A P47898 2/20 0.53
DRD2 P14416 1/20 0.53
DRD3 P35462 1/20 0.53
HTR3E A5X5Y0 1/20 0.53
HTR3B O95264 1/20 0.53
CYP1A2 P05177 1/20 0.53
CYP2D6 P10635 1/20 0.53
NCF1 P14598 1/20 0.53
TSHR P16473 1/20 0.53
NFKB1 P19838 1/20 0.53
HTR1D P28221 1/20 0.53
HTR1B P28222 1/20 0.53
MTOR P42345 1/20 0.53
HTR3A P46098 1/20 0.53
HTR3D Q70Z44 1/20 0.53

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
SCHEMBL29446041 0.84 HTR6 (0.62) HTR6ADRB1HTR1AHTR2AHTR7
SCHEMBL10677139 0.84 HTR6 (0.62) HTR6ADRB1HTR1AHTR2AHTR7
SCHEMBL232830 0.84 HTR6 (0.62) HTR6ADRB1HTR1AHTR2AHTR7
Piperazine SCHEMBL28234322 0.82 HTR6 (0.61) HTR6ADRB1HTR1AHTR2AHTR7
Hydrochloric Acid SCHEMBL27845681 0.82 HTR6 (0.61) HTR6ADRB1HTR1AHTR2AHTR7
SCHEMBL9829881 0.82 KEAP1 (0.45) KDM4EALDH1A1
Ethane SCHEMBL11509421 0.81 ADRB1 (0.61) HTR6ADRB1HTR1AHTR2AHTR7
Hydrochloric Acid SCHEMBL18043585 0.80 ADRB1 (0.67) HTR6ADRB1HTR1AHTR2AHTR7
SCHEMBL8309915 0.78 HTR6 (0.56) HTR6ADRB1HTR1AHTR2AHTR7
SCHEMBL28274752 0.78 HTR6 (0.47) HTR6ADRB1HTR1AHTR2AHTR7

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