SCHEMBL7989733

SCHEMBL7989733

CC(C)(C)OC(=O)N1CCCN(CCCc2ccccc2)CC1

nearest known ligand 0.66

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 11/20 0.64
CHRM3 P20309 1/20 0.56
HTR2A P28223 2/20 0.54
OPRM1 P35372 2/20 0.54
ADORA3 P0DMS8 1/20 0.54
HTR7 P34969 1/20 0.54
FAAH O00519 1/20 0.53
HTR1A P08908 1/20 0.53
DRD4 P21917 1/20 0.53
HRH1 P35367 1/20 0.53
ACKR3 P25106 1/20 0.52

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 0.95 SIGMAR1 (0.69) SIGMAR1HTR2AOPRM1ADORA3HTR7
SCHEMBL8526553 0.94 SIGMAR1 (0.59) SIGMAR1CHRM3HTR2AOPRM1ADORA3
SCHEMBL7986044 0.93 SIGMAR1 (0.55) SIGMAR1CHRM3ACKR3
SCHEMBL3712707 0.87 MEN1 (0.59) SIGMAR1CHRM3ACKR3
SCHEMBL7985885 0.85 SIGMAR1 (0.59) SIGMAR1CHRM3FAAH
SCHEMBL8210703 0.85 KMT2A (0.55) CHRM3
SCHEMBL7983371 0.85 GPR119 (0.61) SIGMAR1
SCHEMBL31752794 0.84 SIGMAR1 (0.56) SIGMAR1HTR2AOPRM1ADORA3HTR7
SCHEMBL7985879 0.84 SIGMAR1 (0.92) SIGMAR1CHRM3FAAH
SCHEMBL1421344 0.83 SIGMAR1 (0.55) SIGMAR1CHRM3HTR2AOPRM1ADORA3

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