SCHEMBL7086871

SCHEMBL7086871

O=C(Nc1ccc(OCCCc2ccccn2)nc1)c1cc(C(F)(F)F)ccc1-c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 4/20 0.49
HTR2A P28223 3/20 0.49
HTR2B P41595 3/20 0.49
GAA P10253 1/20 0.48
SMO Q99835 1/20 0.47
SORT1 Q99523 1/20 0.46
LRRK2 Q5S007 3/20 0.45
SCN9A Q15858 1/20 0.44
SRPK3 Q9UPE1 1/20 0.42
RAB9A P51151 1/20 0.42
TRPV1 Q8NER1 1/20 0.42

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
SCHEMBL6788361 0.89 SMO (0.56) HTR2CHTR2AHTR2BSMORAB9A
SCHEMBL6794869 0.86 SMO (0.56) HTR2CHTR2AHTR2BSMORAB9A
SCHEMBL7087226 0.85 SMO (0.49) SMOSORT1LRRK2SRPK3TRPV1
SCHEMBL6503248 0.85 HTR2C (0.49) HTR2CHTR2AHTR2BGAASMO
SCHEMBL7080705 0.85 SMO (0.49) GAASMOSORT1LRRK2TRPV1
SCHEMBL6259089 0.84 GAA (0.53) GAALRRK2SRPK3RAB9A
SCHEMBL6497088 0.81 HTR2C (0.51) HTR2CHTR2AHTR2BGAASMO
SCHEMBL7083646 0.81 GAA (0.49) HTR2CHTR2AHTR2BGAALRRK2
SCHEMBL6924381 0.81 GAA (0.45) HTR2CHTR2AHTR2BGAALRRK2
SCHEMBL7084419 0.80 MAPT (0.50) SMOSORT1LRRK2RAB9ATRPV1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0676395-B1 Substituted N-heteroaroylguanidines, as inhibitors of sodium-hydrogen exchange, as antiarrhythmic agents and as inhibitors of the proliferation of cells HOECHST AG (DE) 2003-09-03 EP disclosed
EP-1326835-A1 BENZAMIDE COMPOUNDS AS APO B SECRETION INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-07-16 EP disclosed
WO-2002028835-A1 BENZAMIDE COMPOUNDS AS APO B SECRETION INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-04-11 WO disclosed