SCHEMBL7901250

SCHEMBL7901250

CCCCOc1cccc2c1CC(C1CCCN(C(=O)OC(C)(C)C)C1)N2

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 7/20 0.45
BCHE P06276 4/20 0.45
HPGDS O60760 1/20 0.40
USP30 Q70CQ3 2/20 0.39
JAK2 O60674 1/20 0.39
JAK1 P23458 1/20 0.39
LIPE Q05469 1/20 0.39
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
KMT2A Q03164 1/20 0.38
BTK Q06187 1/20 0.38
ACKR3 P25106 1/20 0.38
GPR119 Q8TDV5 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 0.82 BTK (0.42) HPGDSUSP30JAK2JAK1MEN1
SCHEMBL7901892 0.78 MAPK1 (0.49) HPGDSUSP30JAK2JAK1MEN1
SCHEMBL7896805 0.76 HTR6 (0.46) HTR6BCHEUSP30MEN1ALDH1A1
SCHEMBL7906017 0.76 HPGDS (0.42) HPGDSJAK2JAK1MEN1ALDH1A1
SCHEMBL7898726 0.73 USP30 (0.46) USP30MEN1ALDH1A1MAPTKMT2A
SCHEMBL7900422 0.71 BTK (0.44) HPGDSUSP30JAK2JAK1MEN1
SCHEMBL22455399 0.69 MEN1 (0.46) USP30JAK2JAK1MEN1ALDH1A1
SCHEMBL19684749 0.69 ALDH1A1 (0.41) HTR6BCHEALDH1A1GPR119
SCHEMBL626068 0.69 USP30 (0.45) HPGDSUSP30JAK2JAK1MEN1
SCHEMBL626069 0.69 USP30 (0.45) HPGDSUSP30JAK2JAK1MEN1

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