SCHEMBL7586732

SCHEMBL7586732

CCN1CCNCC1c1ccc(CCl)cc1.COc1ccc2cc1-2

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 4/20 0.37
HTR2A P28223 4/20 0.37
HTR2B P41595 4/20 0.37
HTR7 P34969 2/20 0.35
NAAA Q02083 1/20 0.35
DRD2 P14416 3/20 0.34
DRD3 P35462 3/20 0.34
PDE4B Q07343 2/20 0.34
HTR1A P08908 1/20 0.33
HTR1D P28221 1/20 0.33
HTR1B P28222 1/20 0.33
HTR1E P28566 1/20 0.33
HTR3A P46098 1/20 0.33
HTR5A P47898 1/20 0.33
HTR6 P50406 1/20 0.33
USP2 O75604 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C19 P33261 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
SCHEMBL7588002 0.92 HTR2C (0.40) HTR2CHTR2AHTR2BHTR7NAAA
SCHEMBL7583723 0.90 NAAA (0.37) HTR2CHTR2AHTR2BHTR7NAAA
SCHEMBL7583440 0.87 HTR2C (0.38) HTR2CHTR2AHTR2BHTR7DRD2
SCHEMBL7585550 0.86 KDM1A (0.47) HTR2CHTR2AHTR2BHTR7NAAA
SCHEMBL7591745 0.84 HTR2C (0.39) HTR2CHTR2AHTR2BHTR7DRD2
SCHEMBL7589890 0.84 KMT2A (0.41) HTR2CHTR2AHTR2BALDH1A1
SCHEMBL7583638 0.83 DRD2 (0.44) DRD2DRD3CYP1A2CYP2C19
SCHEMBL7582903 0.81 DRD2 (0.43) HTR2CHTR2AHTR2BDRD2DRD3
SCHEMBL7587283 0.81 DRD2 (0.42) DRD2DRD3HTR6ALDH1A1
SCHEMBL5240098 0.78 PDE4B (0.43) HTR2CHTR2AHTR2BPDE4BALDH1A1

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