SCHEMBL8595337

SCHEMBL8595337

OC(CCc1cccnc1)COc1ccc(C2CCCCC2)cc1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
ALDH1A1 P00352 2/20 0.41
NAMPT P43490 1/20 0.41
ACACB O00763 1/20 0.40
KDM1A O60341 1/20 0.39
MAOA P21397 1/20 0.39
KDM4E B2RXH2 1/20 0.39
PKM P14618 1/20 0.39
ADRB1 P08588 1/20 0.39
ADRB3 P13945 1/20 0.39
LMNA P02545 1/20 0.38
TSHR P16473 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL8479423 0.81 ADRB3 (0.53) MEN1KMT2AALDH1A1ADRB1ADRB3
SCHEMBL6949036 0.81 MEN1 (0.53) MEN1KMT2AALDH1A1ADRB1ADRB3
SCHEMBL8479504 0.80 CYP11B2 (0.44) CYP11B2ALDH1A1NAMPTKDM4EPKM
SCHEMBL8477891 0.80 MEN1 (0.55) MEN1KMT2AALDH1A1ADRB1ADRB3
SCHEMBL8079406 0.80 MEN1 (0.47) MEN1KMT2AALDH1A1KDM4EADRB1
SCHEMBL7772042 0.80 MEN1 (0.47) MEN1KMT2AALDH1A1KDM4EADRB1
SCHEMBL8477434 0.80 MEN1 (0.47) MEN1KMT2AALDH1A1KDM4EADRB1
SCHEMBL8479493 0.79 MAPK1 (0.54) MEN1KMT2AALDH1A1ADRB1ADRB3
SCHEMBL8481421 0.79 MEN1 (0.52) CYP11B2MEN1KMT2AALDH1A1KDM1A
SCHEMBL8477371 0.79 CYP19A1 (0.50) CYP11B2MEN1KMT2AALDH1A1ADRB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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