SCHEMBL7772042

SCHEMBL7772042

O[C@H](CCc1cccnc1)COc1ccc(Br)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
ALDH1A1 P00352 4/20 0.46
ADRB1 P08588 2/20 0.45
ADRB3 P13945 2/20 0.45
ADRB2 P07550 1/20 0.45
CHRNA7 P36544 1/20 0.44
MAPT P10636 3/20 0.43
MAPK1 P28482 2/20 0.41
KDM4E B2RXH2 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
HPGD P15428 2/20 0.40
GAA P10253 1/20 0.40
HTT P42858 1/20 0.40
POLB P06746 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
USP2 O75604 1/20 0.40
TSHR P16473 1/20 0.40

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
SCHEMBL8079406 1.00 MEN1 (0.47) MEN1KMT2AALDH1A1ADRB1ADRB3
SCHEMBL8477434 1.00 MEN1 (0.47) MEN1KMT2AALDH1A1ADRB1ADRB3
SCHEMBL7964059 0.89 CYP3A4 (0.52) MEN1KMT2AALDH1A1ADRB1ADRB3
SCHEMBL7963443 0.89 CYP3A4 (0.52) MEN1KMT2AALDH1A1ADRB1ADRB3
SCHEMBL8479423 0.88 ADRB3 (0.53) MEN1KMT2AALDH1A1ADRB1ADRB3
SCHEMBL6949036 0.88 MEN1 (0.53) MEN1KMT2AALDH1A1ADRB1ADRB3
SCHEMBL8477891 0.87 MEN1 (0.55) MEN1KMT2AALDH1A1ADRB1ADRB3
SCHEMBL7822048 0.86 MEN1 (0.45) MEN1KMT2AALDH1A1ADRB1ADRB3
SCHEMBL8482072 0.86 ALDH1A1 (0.47) MEN1KMT2AALDH1A1ADRB1ADRB3
SCHEMBL8479493 0.86 MAPK1 (0.54) MEN1KMT2AALDH1A1ADRB1ADRB3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6265409-B1 ANTIINFLAMMATORY AGENTS ASTRAZENECA AB (SE) 2001-07-24 US disclosed
EP-1115706-A1 NOVEL COMPOUNDS AstraZeneca AB (SE) 2001-07-18 EP disclosed
EP-1115401-A1 NOVEL COMPOUNDS AstraZeneca AB (SE) 2001-07-18 EP disclosed
EP-0984961-B1 NOVEL PYRIDINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM ASTRAZENECA AB (SE) 2001-06-20 EP disclosed
US-6143751-A Pyridine derivatives and pharmaceutical compositions containing them ASTRAZENECA UK LIMITED (GB) 2000-11-07 US disclosed
EP-1037889-A1 NOVEL COMPOUNDS AstraZeneca UK Limited (GB) 2000-09-27 EP disclosed
EP-1019375-A1 NOVEL PYRIDINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Astra Pharmaceuticals Limited (GB) 2000-07-19 EP disclosed
WO-2000018730-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2000-04-06 WO disclosed
WO-2000018731-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2000-04-06 WO disclosed
EP-0984961-A1 NOVEL PYRIDINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Astra Pharmaceuticals Limited (GB) 2000-03-15 EP disclosed
US-5977105-A Compounds ASTRA PHARMAEUTICALS LTD. (GB) 1999-11-02 US disclosed
WO-1999029686-A1 NOVEL COMPOUNDS ASTRAZENECA UK LIMITED (GB) 1999-06-17 WO disclosed
WO-1998043971-A1 NOVEL PYRIDINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM ASTRA PHARMACEUTICALS LTD. (GB) 1998-10-08 WO disclosed
WO-1998042669-A1 NOVEL PYRIDINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM ASTRA PHARMACEUTICALS LTD. (GB) 1998-10-01 WO disclosed
EP-0865431-A2 COMPOUNDS Astra Pharmaceuticals Limited (GB) 1998-09-23 EP disclosed
WO-1997020815-A1 COMPOUNDS ASTRA PHARMACEUTICALS LTD. (GB) 1997-06-12 WO disclosed