SCHEMBL5313779

SCHEMBL5313779

Cc1cc[c]c(C2CCC(N3CCOCC3)CC2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 6/20 0.42
KDM4E B2RXH2 1/20 0.40
OPRL1 P41146 2/20 0.37
CHRM2 P08172 1/20 0.37
CHRM4 P08173 1/20 0.37
CHRM5 P08912 1/20 0.37
CHRM1 P11229 1/20 0.37
CHRM3 P20309 1/20 0.37
KCNH2 Q12809 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
L3MBTL3 Q96JM7 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
KDM1A O60341 1/20 0.35
MAOB P27338 1/20 0.35
SLC6A4 P31645 1/20 0.35
ALDH1A1 P00352 1/20 0.34

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
SCHEMBL457257 0.80 HTR2C (0.32)
SCHEMBL2383024 0.78 KDM1A (0.43) IRAK4OPRL1KCNH2KMT2ACYP3A4
SCHEMBL28119904 0.73 NPC1 (0.33)
SCHEMBL9330891 0.73 NPC1 (0.36) KDM4ECHRM1L3MBTL1ALDH1A1HTT
SCHEMBL1777247 0.72 NPC1 (0.38) KDM4ECHRM1KMT2AL3MBTL1ALDH1A1
SCHEMBL2466664 0.71 HRH3 (0.50) IRAK4OPRL1KMT2ACYP3A4CYP2C9
SCHEMBL8558191 0.69 HTR2C (0.50) MEN1KMT2ASLC6A4
SCHEMBL12879720 0.69 ALDH1A1 (0.53) KDM4EKCNH2MEN1KMT2AHRH3
SCHEMBL12082369 0.68 L3MBTL3 (0.59) KDM4EMEN1KMT2AHRH3L3MBTL3
SCHEMBL14924476 0.68 MAPT (0.48) IRAK4KDM4ECHRM2CHRM4CHRM5

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-1846402-A1 3-AMINO-PYRAZOLO[3,4B]PYRIDINES USED AS INHIBITORS OF PROTEIN TYROSINE KINASES FOR TREATING ANGIOGENIC, HYPERPROLIFERATIVE OR NEURODEGENERATIVE DISEASES Bayer Schering Pharma Aktiengesellschaft (DE) 2007-10-24 EP disclosed
WO-2006063805-A1 3-AMINO-PYRAZOLO[3,4B]PYRIDINES USED AS INHIBITORS OF PROTEIN TYROSINE KINASES FOR TREATING ANGIOGENIC, HYPERPROLIFERATIVE OR NEURODEGENERATIVE DISEASES BAYER SCHERING PHARMA AKTINGESELLSCHAFT (DE) 2006-06-22 WO disclosed