SCHEMBL7585657

SCHEMBL7585657

CCOC(=O)c1cc(N2CCNCC2)cc(Br)c1Cl

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.43
CHRM4 P08173 1/20 0.43
ADRB1 P08588 1/20 0.43
CHRM1 P11229 1/20 0.43
CHRM3 P20309 1/20 0.43
ALDH1A1 P00352 3/20 0.43
CHRNB2 P17787 4/20 0.42
CHRNA4 P43681 4/20 0.42
DYRK1A Q13627 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.40
LMNA P02545 2/20 0.39
GAA P10253 1/20 0.39
MAPK1 P28482 2/20 0.38
MAPT P10636 1/20 0.38
HTT P42858 1/20 0.38
FGFR1 P11362 1/20 0.38
CDK4 P11802 1/20 0.38
CCNA2 P20248 1/20 0.38
FGFR2 P21802 1/20 0.38
FGFR4 P22455 1/20 0.38

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
Hydrochloric Acid SCHEMBL7584881 0.99 ALDH1A1 (0.42) CHRM2CHRM4ADRB1CHRM1CHRM3
SCHEMBL7584894 0.85 MEN1 (0.45) ALDH1A1LMNAGAAMAPK1MAPT
SCHEMBL19212046 0.82 MAPT (0.46) ADRB1ALDH1A1DYRK1AL3MBTL1LMNA
SCHEMBL7585738 0.81 MAPT (0.47) ALDH1A1LMNAGAAMAPK1MAPT
SCHEMBL3464205 0.80 MAPT (0.54) ADRB1ALDH1A1CHRNB2CHRNA4DYRK1A
SCHEMBL5863451 0.77 ADRB1 (0.55) ADRB1ALDH1A1DYRK1AL3MBTL1LMNA
SCHEMBL7587341 0.75 ADRB1 (0.62) CHRM2CHRM4ADRB1CHRM1CHRM3
SCHEMBL8352185 0.74 ADRB1 (0.55) ADRB1ALDH1A1DYRK1AL3MBTL1LMNA
Tert-Butyl Formate SCHEMBL28258230 0.74 ALDH1A1 (0.41) ADRB1ALDH1A1DYRK1ALMNAGAA
SCHEMBL17595153 0.74 CYP1A2 (0.47) CHRM2CHRM4ADRB1CHRM1CHRM3

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 4 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
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