SCHEMBL7983371

SCHEMBL7983371

CC(C)(C)OC(=O)N1CCC(C2CCN(CCCc3ccccc3)CC2)CC1

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 5/20 0.61
SIGMAR1 Q99720 3/20 0.57
ALDH1A1 P00352 2/20 0.55
USP2 O75604 1/20 0.55
STS P08842 1/20 0.53
JAK2 O60674 1/20 0.53
JAK1 P23458 1/20 0.53
POLB P06746 1/20 0.53
BLM P54132 1/20 0.51
KCNH2 Q12809 1/20 0.51
KDM4E B2RXH2 1/20 0.50
PKM P14618 1/20 0.50

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
SCHEMBL7971782 0.89 SIGMAR1 (0.69) SIGMAR1
SCHEMBL8526553 0.86 SIGMAR1 (0.59) SIGMAR1ALDH1A1BLMKDM4E
SCHEMBL7989733 0.85 SIGMAR1 (0.64) SIGMAR1
SCHEMBL13913655 0.83 KDM4E (0.60) GPR119STSJAK2JAK1KDM4E
SCHEMBL3358948 0.82 KDM4E (0.59) GPR119ALDH1A1STSJAK2JAK1
SCHEMBL3712707 0.81 MEN1 (0.59) SIGMAR1STSPOLBKCNH2
SCHEMBL13954406 0.81 GPR119 (0.67) GPR119STSJAK2JAK1KDM4E
SCHEMBL27648293 0.81 MAPT (0.56) GPR119SIGMAR1ALDH1A1STSJAK2
SCHEMBL1912705 0.80 KDM4E (0.62) GPR119STSJAK2JAK1KDM4E
SCHEMBL4213070 0.79 DRD4 (0.57) GPR119SIGMAR1ALDH1A1STSJAK2

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
US-6235731-B1 REDUCING BLOOD LIPIDS, SUGARS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-05-22 US disclosed
EP-0915888-A1 FUSED IMIDAZOPYRIDINE DERIVATIVES AS ANTIHYPERLIPIDEMIC AGENTS Takeda Chemical Industries, Ltd. (JP) 1999-05-19 EP disclosed
WO-1997040051-A1 FUSED IMIDAZOPYRIDINE DERIVATIVES AS ANTIHYPERLIPIDEMIC AGENTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1997-10-30 WO disclosed