SCHEMBL6986929

SCHEMBL6986929

OC(O)c1ccccc1N1CCN(c2csc3ccc(F)cc23)CC1

nearest known ligand 0.53

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.51
TP53 P04637 4/20 0.51
LMNA P02545 1/20 0.51
HTR1A P08908 6/20 0.47
THRB P10828 1/20 0.46

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
SCHEMBL4729065 0.74 MAPT (0.58) MAPTTP53LMNAHTR1ATHRB
SCHEMBL8915792 0.74 MAPT (0.58) MAPTTP53LMNAHTR1ATHRB
Hydrochloric Acid SCHEMBL4727330 0.73 MAPT (0.57) MAPTTP53LMNAHTR1ATHRB
SCHEMBL6596271 0.69 HTR1A (0.67) HTR1A
SCHEMBL7982396 0.69 HTR1A (0.81) HTR1A
Hydrochloric Acid SCHEMBL7985771 0.69 HTR1A (0.80) HTR1A
SCHEMBL13898747 0.66 DRD4 (0.47) MAPTTP53LMNATHRB
SCHEMBL14493421 0.65 DRD4 (0.49) MAPT
SCHEMBL2966951 0.63 MAPT (0.48) MAPTTP53LMNAHTR1ATHRB
SCHEMBL8653538 0.63 MAPT (0.48) MAPTTP53LMNATHRB

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-1337528-A2 BENZOTHIOPHENE DERIVATIVE COMPOUNDS, PROCESS OF PREPARATION AND USE THEREOF LABORATORIOS VITA, S.A. (ES) 2003-08-27 EP disclosed
WO-2002044170-A2 BENZOTHIOPHENE DERIVATIVE COMPOUNDS, PROCESS OF PREPARATION AND USE THEREOF LABORATORIOS VITA, S.A. (ES) 2002-06-06 WO disclosed