SCHEMBL7228682

SCHEMBL7228682

Fc1ccc(COCCCCBr)cc1F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.41
MAOA P21397 2/20 0.41
PPARA Q07869 2/20 0.35
GBA1 P04062 2/20 0.35
LCT P09848 2/20 0.35
UGCG Q16739 2/20 0.35
GBA2 Q9HCG7 2/20 0.35
MGAM O43451 1/20 0.35
SI P14410 1/20 0.35
KDM5A P29375 1/20 0.34
KDM4C Q9H3R0 1/20 0.34
KDM5B Q9UGL1 1/20 0.34
HTT P42858 2/20 0.34
ALDH1A1 P00352 1/20 0.34
HTR6 P50406 1/20 0.33
CCR5 P51681 1/20 0.33
ACHE P22303 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ALOX5AP P20292 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
SCHEMBL7239679 0.98 MAOB (0.40) MAOBMAOAPPARAGBA1LCT
SCHEMBL7229152 0.95 MAOB (0.39) MAOBMAOAGBA1LCTUGCG
SCHEMBL7229262 0.85 DAO (0.36) MAOBMAOAHTTALDH1A1
SCHEMBL1006963 0.81 GBA1 (0.41) MAOBMAOAPPARAGBA1LCT
SCHEMBL7236826 0.80 IDO1 (0.45) MAOBGBA1UGCGGBA2TDP1
SCHEMBL7229022 0.79 DAO (0.36) MAOBMAOAHTTALDH1A1
SCHEMBL7889545 0.79 MAOB (0.47) MAOBMAOAPPARAHTTALDH1A1
SCHEMBL7741926 0.79 IDO1 (0.44) MAOBGBA1UGCGGBA2TDP1
SCHEMBL7230360 0.79 IDO1 (0.44) MAOBGBA1UGCGGBA2TDP1
SCHEMBL4808098 0.77 MAOB (0.46) MAOBMAOAPPARAHTTALDH1A1

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
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-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