SCHEMBL486202

SCHEMBL486202

O=C(O)Oc1ccc(Br)cn1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.52
KDM4E B2RXH2 3/20 0.52
TSHR P16473 2/20 0.40
MAPT P10636 1/20 0.37
RAB9A P51151 5/20 0.37
NPC1 O15118 3/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
HSD17B10 Q99714 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
ADRA2A P08913 2/20 0.36
ADRA2B P18089 2/20 0.36
ADRA2C P18825 2/20 0.36
PLAU P00749 1/20 0.36
GABRA5 P31644 1/20 0.35
DGAT1 O75907 1/20 0.35
FDPS P14324 1/20 0.35
LMNA P02545 1/20 0.35

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
SCHEMBL2899777 0.82 KDM4E (0.46) ALDH1A1KDM4ETSHRMAPTRAB9A
SCHEMBL2414089 0.82 KDM4E (0.46) ALDH1A1KDM4ETSHRMAPTRAB9A
SCHEMBL20599489 0.80 MAPT (0.47) ALDH1A1KDM4ETSHRMAPTRAB9A
SCHEMBL3985855 0.79 KDM4E (0.46) ALDH1A1KDM4ETSHRMAPTRAB9A
SCHEMBL17674285 0.78 KDM4E (0.45) ALDH1A1KDM4ETSHRMAPTRAB9A
SCHEMBL17894964 0.78 KDM4E (0.42) ALDH1A1KDM4ETSHRMAPTRAB9A
SCHEMBL29855946 0.78 KDM4E (0.45) ALDH1A1KDM4ETSHRMAPTRAB9A
SCHEMBL18982640 0.78 KDM4E (0.48) ALDH1A1KDM4ETSHRMAPTRAB9A
SCHEMBL376818 0.78 MAPT (0.38) ALDH1A1KDM4EMAPTRAB9AKMT2A
SCHEMBL1550676 0.78 MAPT (0.38) ALDH1A1KDM4EMAPTHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2411363-B1 SUBSTITUTED PIPERIDINES AS PAR-1 ANTAGONISTS BAYER IP GMBH (DE) 2015-10-07 EP disclosed
EP-2411363-A1 SUBSTITUTED PIPERIDINES AS PAR-1 ANTAGONISTS Bayer Pharma AG (DE) 2012-02-01 EP disclosed
WO-2010108608-A1 SUBSTITUTED PIPERIDINES AS PAR-1 ANTAGONISTS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-09-30 WO disclosed
EP-1534689-A1 NOVEL CARBOXAMIDE COMPOUNDS HAVING AN MCH-ANTAGONISTIC EFFECT, MEDICAMENTS CONTAINING SAID COMPOUNDS, AND METHODS FOR THE PRODUCTION THEREOF BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2005-06-01 EP disclosed
WO-2004024702-A1 NOVEL CARBOXAMIDE COMPOUNDS HAVING AN MCH-ANTAGONISTIC EFFECT, MEDICAMENTS CONTAINING SAID COMPOUNDS, AND METHODS FOR THE PRODUCTION THEREOF BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-03-25 WO disclosed