SCHEMBL7906017

SCHEMBL7906017

COc1nccc2c1CC([C@@H]1CCCN(C(=O)OC(C)(C)C)C1)N2

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 2/20 0.42
GPR119 Q8TDV5 7/20 0.41
JAK2 O60674 2/20 0.40
JAK1 P23458 2/20 0.40
ALDH1A1 P00352 2/20 0.39
MEN1 O00255 1/20 0.39
MAPT P10636 1/20 0.39
KMT2A Q03164 1/20 0.39
HCAR1 Q9BXC0 1/20 0.38
CCNK O75909 1/20 0.38
CDK12 Q9NYV4 1/20 0.38
PDE4B Q07343 1/20 0.38
FPR2 P25090 1/20 0.37

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
SCHEMBL7898292 0.79 BTK (0.42) HPGDSGPR119JAK2JAK1ALDH1A1
SCHEMBL7901892 0.77 MAPK1 (0.49) HPGDSGPR119JAK2JAK1ALDH1A1
SCHEMBL7898726 0.76 USP30 (0.46) GPR119ALDH1A1MEN1MAPTKMT2A
SCHEMBL7901250 0.76 HTR6 (0.45) HPGDSGPR119JAK2JAK1ALDH1A1
SCHEMBL7906014 0.76 GPR119 (0.39) HPGDSGPR119JAK2JAK1ALDH1A1
SCHEMBL7905938 0.73 ALOX5AP (0.37) HPGDSGPR119ALDH1A1MEN1MAPT
SCHEMBL25343613 0.70 PDE4B (0.52) HPGDSGPR119JAK2JAK1ALDH1A1
SCHEMBL26667052 0.70 PDE4B (0.52) HPGDSGPR119JAK2JAK1ALDH1A1
SCHEMBL7900422 0.69 BTK (0.44) HPGDSGPR119JAK2JAK1ALDH1A1
SCHEMBL22605772 0.69 GPR119 (0.49) GPR119JAK2JAK1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010111634-A2 RENIN INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-09-30 WO disclosed