SCHEMBL7583643

SCHEMBL7583643

CCS(=O)(=O)c1cc(N2CCN(CCO)CC2)cc(-c2ccc(F)cc2)c1OC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP8 P40818 1/20 0.42
HTR7 P34969 4/20 0.40
HTR2A P28223 2/20 0.40
HTR2C P28335 2/20 0.40
HTR1A P08908 1/20 0.40
DRD4 P21917 2/20 0.39
TGFBR1 P36897 1/20 0.39
ACVR1 Q04771 1/20 0.39
LMNA P02545 3/20 0.39
MAPT P10636 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
ALDH1A1 P00352 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C19 P33261 1/20 0.38
DRD2 P14416 1/20 0.37
DRD3 P35462 1/20 0.37

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
SCHEMBL7583528 0.92 TGFBR1 (0.47) HTR7HTR2AHTR2CHTR1ADRD4
SCHEMBL7587483 0.91 KDM2B (0.41) HTR7HTR2AHTR2CHTR1ALMNA
SCHEMBL7583750 0.86 DRD4 (0.42) HTR1ADRD4TGFBR1ACVR1
SCHEMBL7582038 0.84 ACVR1 (0.45) HTR7HTR1ATGFBR1ACVR1CYP3A4
SCHEMBL7585821 0.84 KDM4E (0.41) HTR7HTR1ALMNAALDH1A1KDM4E
SCHEMBL7583741 0.82 MAPT (0.39) HTR7HTR2AHTR2CHTR1ATGFBR1
SCHEMBL7583730 0.82 MMP13 (0.42) LMNAMAPTMEN1KMT2ASMN1; SMN2
SCHEMBL7583816 0.81 KDM4E (0.52) DRD4LMNAMEN1KMT2ASMN1; SMN2
SCHEMBL7587297 0.81 KDM4E (0.51) DRD4LMNAALDH1A1DRD2DRD3
SCHEMBL7583737 0.80 CHRNA7 (0.46) HTR7DRD4MEN1KMT2AALDH1A1

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