SCHEMBL8550947

SCHEMBL8550947

CC(C)(C)OC(=O)N1CCC(c2nc(N)c[nH]2)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.51
MAPT P10636 1/20 0.51
THRB P10828 1/20 0.51
HPGDS O60760 1/20 0.47
GPR119 Q8TDV5 5/20 0.45
JAK2 O60674 1/20 0.44
JAK1 P23458 1/20 0.44
TYK2 P29597 1/20 0.44
JAK3 P52333 1/20 0.44
DDB1 Q16531 1/20 0.44
CRBN Q96SW2 1/20 0.44
HTT P42858 1/20 0.44
NAMPT P43490 1/20 0.44
ALDH1A1 P00352 2/20 0.43
MEN1 O00255 1/20 0.43
CRHBP P24387 1/20 0.43
KMT2A Q03164 1/20 0.43
CRHR2 Q13324 1/20 0.43
PTPN2 P17706 1/20 0.43
PTPN1 P18031 1/20 0.43

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
SCHEMBL2512441 0.86 KDM4E (0.52) KDM4EMAPTTHRBHPGDSGPR119
SCHEMBL14782658 0.85 KDM4E (0.51) KDM4EMAPTTHRBHPGDSGPR119
SCHEMBL1665015 0.85 KDM4E (0.51) KDM4EMAPTTHRBHPGDSGPR119
SCHEMBL16457597 0.85 KDM4E (0.51) KDM4EMAPTTHRBHPGDSGPR119
SCHEMBL8623095 0.84 KDM4E (0.50) KDM4EMAPTTHRBHPGDSGPR119
SCHEMBL1662413 0.83 KDM4E (0.49) KDM4EMAPTTHRBHPGDSGPR119
SCHEMBL16457400 0.83 KDM4E (0.49) KDM4EMAPTTHRBHPGDSGPR119
SCHEMBL16457438 0.83 KDM4E (0.50) KDM4EMAPTTHRBHPGDSGPR119
SCHEMBL16457485 0.83 KDM4E (0.49) KDM4EMAPTTHRBHPGDSGPR119
SCHEMBL16457698 0.83 KDM4E (0.49) KDM4EMAPTTHRBHPGDSGPR119

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-0858457-A1 5-MEMBERED HETEROCYCLES, PHARMACEUTICAL AGENTS CONTAINING SAID COMPOUNDS AND THE USE THEREOF AND METHODS OF PRODUCING THEM Dr. Karl Thomae GmbH (DE) 1998-08-19 EP disclosed
WO-1997015567-A1 5-MEMBERED HETEROCYCLES, PHARMACEUTICAL AGENTS CONTAINING SAID COMPOUNDS AND THE USE THEREOF AND METHODS OF PRODUCING THEM DR. KARL THOMAE GMBH (DE) 1997-05-01 WO disclosed