SCHEMBL7229262

SCHEMBL7229262

Fc1ccc(CCOCCCCBr)cc1F

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DAO P14920 2/20 0.36
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34
HTT P42858 2/20 0.33
ALDH1A1 P00352 1/20 0.33
CHRM5 P08912 1/20 0.32
CHRM1 P11229 1/20 0.32
CHRM3 P20309 1/20 0.32
KCNH2 Q12809 1/20 0.32
SIGMAR1 Q99720 1/20 0.30
TRPV3 Q8NET8 1/20 0.30

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
SCHEMBL7229022 0.95 DAO (0.36) DAOMAOAMAOBHTTALDH1A1
SCHEMBL7228682 0.85 MAOB (0.41) MAOAMAOBHTTALDH1A1
SCHEMBL7239679 0.83 MAOB (0.40) MAOAMAOBHTTALDH1A1
SCHEMBL7767848 0.82 DAO (0.41) DAOMAOAMAOBHTTALDH1A1
SCHEMBL7228810 0.81 TAAR1 (0.41) MAOBKCNH2
SCHEMBL80232 0.80 DAO (0.42) DAOHTTALDH1A1TRPV3
SCHEMBL7229152 0.79 MAOB (0.39) MAOAMAOBHTTALDH1A1
SCHEMBL9574248 0.79 TAAR1 (0.39) MAOBKCNH2
SCHEMBL29447904 0.76 DAO (0.44) DAOMAOAMAOBHTTALDH1A1
SCHEMBL3120224 0.76 DAO (0.44) DAOMAOAMAOBHTTALDH1A1

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