SCHEMBL7229152

SCHEMBL7229152

Fc1ccc(COCCCBr)cc1F

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.39
MAOA P21397 2/20 0.39
HTT P42858 2/20 0.35
ALDH1A1 P00352 1/20 0.35
HTR6 P50406 1/20 0.34
GBA1 P04062 2/20 0.33
LCT P09848 2/20 0.33
UGCG Q16739 2/20 0.33
GBA2 Q9HCG7 2/20 0.33
CCR5 P51681 1/20 0.33
ACHE P22303 1/20 0.33
MGAM O43451 1/20 0.33
SI P14410 1/20 0.33
ALOX5AP P20292 1/20 0.33
FEN1 P39748 1/20 0.33
REN P00797 1/20 0.32
DRD4 P21917 1/20 0.32

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
SCHEMBL7228682 0.95 MAOB (0.41) MAOBMAOAHTTALDH1A1HTR6
SCHEMBL7239679 0.93 MAOB (0.40) MAOBMAOAHTTALDH1A1HTR6
SCHEMBL7229022 0.84 DAO (0.36) MAOBMAOAHTTALDH1A1
SCHEMBL7889545 0.80 MAOB (0.47) MAOBMAOAHTTALDH1A1HTR6
SCHEMBL7239991 0.79 IDO1 (0.47) MAOBGBA1UGCGGBA2
SCHEMBL7229262 0.79 DAO (0.36) MAOBMAOAHTTALDH1A1
SCHEMBL1006963 0.79 GBA1 (0.41) MAOBMAOAHTTGBA1LCT
SCHEMBL4808098 0.78 MAOB (0.46) MAOBMAOAHTTALDH1A1HTR6
SCHEMBL80232 0.75 DAO (0.42) HTTALDH1A1
SCHEMBL1008735 0.74 MAOA (0.43) MAOBMAOAALDH1A1GBA1LCT

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
US-6531469-B1 Treatment of myocardial ischemia, chronic stable angina, unstable angina and prinzmetal's angina attacks, silent cardiac ischemia, reinfarction, reocclusion and restenosis PIERRE FABRE MEDICAMENT (FR) 2003-03-11 US disclosed
EP-1144408-B1 SUBSTITUTED 1-(PIERIDIN-4-YL)-3-(ARYL) ISOTHIOUREAS THEIR PREPARATION AND THERAPEUTIC APPLICATION PF MEDICAMENT (FR) 2002-09-25 EP disclosed
EP-1144408-A1 SUBSTITUTED 1-(PIERIDIN-4-YL)-3-(ARYL) ISOTHIOUREAS THEIR PREPARATION AND THERAPEUTIC APPLICATION PIERRE FABRE MEDICAMENT (FR) 2001-10-17 EP disclosed
WO-2000043391-A1 SUBSTITUTED 1-(PIERIDIN-4-YL)-3-(ARYL) ISOTHIOUREAS THEIR PREPARATION AND THERAPEUTIC APPLICATION PIERRE FABRE MEDICAMENT (FR) 2000-07-27 WO disclosed