SCHEMBL6626522

SCHEMBL6626522

CC(C)(C)OC(=O)N1CCC(OC(=O)N2CCC(=O)CC2)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.48
KDM4E B2RXH2 1/20 0.48
THRB P10828 1/20 0.48
HPGD P15428 1/20 0.48
HPGDS O60760 1/20 0.48
GPR119 Q8TDV5 6/20 0.46
RECQL P46063 1/20 0.46
EPHX1 P07099 1/20 0.46
NPC1 O15118 1/20 0.45
ALDH1A1 P00352 1/20 0.45
MAPK1 P28482 1/20 0.45
HTT P42858 1/20 0.45
RAB9A P51151 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
PTPN2 P17706 1/20 0.45
PTPN1 P18031 1/20 0.45
PTPN6 P29350 1/20 0.45
KDM1A O60341 1/20 0.45
DDB1 Q16531 1/20 0.44
CRBN Q96SW2 1/20 0.44

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
SCHEMBL5201360 0.88 HPGDS (0.46) MAPTKDM4ETHRBHPGDHPGDS
SCHEMBL27669441 0.86 USP2 (0.56) MAPTKDM4ETHRBHPGDGPR119
SCHEMBL31028 0.86 USP2 (0.56) MAPTKDM4ETHRBHPGDGPR119
SCHEMBL8152888 0.85 MAPT (0.50) MAPTKDM4ETHRBHPGDGPR119
Ammonia Solution, Strong SCHEMBL27841683 0.84 USP2 (0.55) MAPTKDM4ETHRBHPGDGPR119
SCHEMBL7819063 0.84 MAPT (0.52) MAPTKDM4ETHRBHPGDGPR119
Ethylene SCHEMBL3832936 0.82 USP2 (0.53) MAPTKDM4ETHRBHPGDGPR119
Iodomethane SCHEMBL15848230 0.82 USP2 (0.53) MAPTKDM4ETHRBHPGDGPR119
SCHEMBL29256775 0.82 HPGD (0.71) MAPTKDM4ETHRBHPGDGPR119
SCHEMBL12844757 0.82 F2 (0.39)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1212327-B8 PYRAZOLOPYRIMIDINES AS THERAPEUTIC AGENTS ABBOTT GMBH & CO KG (DE) 2004-02-25 EP disclosed
EP-1212327-A2 PYRAZOLOPYRIMIDINES AS THERAPEUTIC AGENTS BASF AKTIENGESELLSCHAFT (DE) 2002-06-12 EP disclosed
WO-2001019829-A2 PYRAZOLOPYRIMIDINES AS THERAPEUTIC AGENTS BASF AKTIENGESELLSCHAFT (DE) 2001-03-22 WO disclosed