SCHEMBL2641060

SCHEMBL2641060

CC(C)(C)OC(=O)N1CCc2cc(NCc3ccc(Cl)cc3)ccc21.CC(C)(C)OC(=O)N1CCc2ccc(NCc3ccc(Cl)cc3)cc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.44
THRB P10828 2/20 0.44
HSD17B3 P37058 1/20 0.44
DHODH Q02127 1/20 0.44
TP53 P04637 1/20 0.43
HSP90AA1 P07900 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
MPO P05164 1/20 0.43
DRD2 P14416 4/20 0.42
POLB P06746 2/20 0.42
MAPT P10636 2/20 0.42
CHRM4 P08173 1/20 0.42
HTR7 P34969 1/20 0.42
TRIM24 O15164 1/20 0.42
DRD4 P21917 3/20 0.41
NOTUM Q6P988 2/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41

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
SCHEMBL1948366 0.96 LMNA (0.47) LMNATHRBHSD17B3DHODHTP53
SCHEMBL1948851 0.96 NOTUM (0.44) LMNATHRBHSD17B3DHODHTP53
SCHEMBL18669071 0.82 ALDH1A1 (0.44) LMNAHSD17B3HDAC6DRD2MAPT
SCHEMBL1948510 0.81 NOTUM (0.64) LMNATHRBHSD17B3TP53HSP90AA1
SCHEMBL1950239 0.81 NOTUM (0.64) LMNATHRBHSD17B3TP53DRD2
SCHEMBL1948364 0.81 ESR2 (0.60) LMNAHSD17B3TP53HTTSMN1; SMN2
SCHEMBL12359781 0.80 CHRM4 (0.49) DRD2CHRM4HTR7AVPR2
SCHEMBL1948375 0.80 DRD2 (0.51) LMNATHRBHSD17B3DRD2POLB
SCHEMBL1950469 0.80 DRD4 (0.50) LMNATHRBTP53HSP90AA1HDAC8
SCHEMBL27975558 0.79 NOTUM (0.65) HSD17B3DHODHTRIM24NOTUMAVPR2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2438055-A1 DIHYDROINDOLE AND TETRAHYDROISOQUINOLINE DERIVATIVES USEFUL AS POTASSIUM CHANNEL INHIBITORS Xention Limited (GB) 2012-04-11 EP disclosed
WO-2010139967-A1 DIHYDROINDOLE AND TETRAHYDROISOQUINOLINE DERIVATIVES USEFUL AS POTASSIUM CHANNEL INHIBITORS XENTION LIMITED (GB) 2010-12-09 WO disclosed