SCHEMBL7582943

SCHEMBL7582943

COc1c(Br)cc(N2CCN(C(=O)OC(C)(C)C)CC2)cc1Br

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.51
MAPT P10636 2/20 0.51
ALDH1A1 P00352 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.47
GPR119 Q8TDV5 6/20 0.46
SUV39H2 Q9H5I1 2/20 0.46
ESRRB O95718 1/20 0.45
ESR1 P03372 1/20 0.45
ESRRA P11474 1/20 0.45
ESRRG P62508 1/20 0.45
PDK2 Q15119 1/20 0.45
NAMPT P43490 1/20 0.45
ABCB1 P08183 1/20 0.44
KCNH2 Q12809 1/20 0.44
MEN1 O00255 1/20 0.43
CYP2C19 P33261 1/20 0.43
KMT2A Q03164 1/20 0.43
BACE1 P56817 1/20 0.43

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
SCHEMBL7589851 0.87 LMNA (0.43) LMNAMAPTALDH1A1SMN1; SMN2GPR119
SCHEMBL7581350 0.86 MAPT (0.53) LMNAMAPTALDH1A1SMN1; SMN2GPR119
SCHEMBL4941010 0.84 LMNA (0.51) LMNAMAPTALDH1A1SMN1; SMN2GPR119
SCHEMBL24847031 0.83 MAPT (0.56) LMNAMAPTALDH1A1SMN1; SMN2GPR119
SCHEMBL26604111 0.82 MAPT (0.54) LMNAMAPTALDH1A1SMN1; SMN2GPR119
SCHEMBL24848428 0.82 ABCB1 (0.55) LMNAMAPTALDH1A1SMN1; SMN2GPR119
SCHEMBL5683429 0.81 MAPT (0.57) LMNAMAPTALDH1A1SMN1; SMN2GPR119
SCHEMBL5683408 0.81 ABCB1 (0.60) LMNAMAPTALDH1A1SMN1; SMN2GPR119
SCHEMBL2386587 0.81 SUV39H2 (0.55) LMNAMAPTALDH1A1SMN1; SMN2GPR119
SCHEMBL30726275 0.81 SUV39H2 (0.55) LMNAMAPTALDH1A1SMN1; SMN2GPR119

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