SCHEMBL5801362

SCHEMBL5801362

CN1CCN(C2CCC(n3ccc(I)n3)CC2)CC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR3E A5X5Y0 1/20 0.37
HTR3B O95264 1/20 0.37
HTR3A P46098 1/20 0.37
HTR3D Q70Z44 1/20 0.37
HTR3C Q8WXA8 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.35
L3MBTL3 Q96JM7 1/20 0.35
HRH3 Q9Y5N1 4/20 0.34
ACVR1 Q04771 1/20 0.34
KDM4E B2RXH2 1/20 0.33
RAD52 P43351 1/20 0.33
IRAK4 Q9NWZ3 1/20 0.33
LCK P06239 3/20 0.33
SRC P12931 3/20 0.33
TEK Q02763 3/20 0.33
KDR P35968 2/20 0.33
BTK Q06187 1/20 0.33
ALDH1A1 P00352 1/20 0.33
JAK2 O60674 2/20 0.32
PTK2 Q05397 2/20 0.32

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
SCHEMBL5800638 0.87 GAA (0.40) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL15825704 0.83
SCHEMBL4972292 0.81 SIGMAR1 (0.41) L3MBTL1L3MBTL3HRH3IRAK4KDM1A
SCHEMBL27568268 0.76 SIGMAR1 (0.39) KCNH2ACHESIGMAR1
SCHEMBL26101147 0.76 SIGMAR1 (0.36) SIGMAR1
SCHEMBL6221771 0.75 HTR2B (0.37) L3MBTL1HRH3IRAK4KCNH2SIGMAR1
SCHEMBL19610482 0.75 HTR2B (0.37) L3MBTL1HRH3IRAK4KCNH2SIGMAR1
SCHEMBL28752476 0.75 SMYD3 (0.34) SIGMAR1
SCHEMBL28752475 0.75 SMYD3 (0.34) SIGMAR1
SCHEMBL6638952 0.75 KEAP1 (0.49) L3MBTL1HRH3KDM4EIRAK4LCK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1385524-A4 PYRAZOLOPYRIMIDINES AS THERAPEUTIC AGENTS ABBOTT GMBH & CO KG (DE) 2006-02-01 EP disclosed
EP-1379528-A4 PYRAZOLOPYRIMIDINES AS THERAPEUTIC AGENTS ABBOTT GMBH (DE) 2005-12-07 EP disclosed
EP-1385524-A1 PYRAZOLOPYRIMIDINES AS THERAPEUTIC AGENTS Abbott GmbH & Co. KG (DE) 2004-02-04 EP disclosed
EP-1379528-A1 PYRAZOLOPYRIMIDINES AS THERAPEUTIC AGENTS ABBOTT GmbH (DE) 2004-01-14 EP disclosed
WO-2002080926-A1 PYRAZOLOPYRIMIDINES AS THERAPEUTIC AGENTS ABBOTT GMBH & CO. KG (DE) 2002-10-17 WO disclosed
WO-2002076986-A1 PYRAZOLOPYRIMIDINES AS THERAPEUTIC AGENTS ABBOTT GMBH & CO. KG (DE) 2002-10-03 WO disclosed