SCHEMBL7970683

SCHEMBL7970683

CC(C)(C)OC(=O)N1CC=C(c2nc3c(Cl)cccc3s2)CC1

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PDK4 Q16654 1/20 0.51
GRM1 Q13255 10/20 0.48
GRM5 P41594 9/20 0.48
GPR119 Q8TDV5 3/20 0.48
NAMPT P43490 1/20 0.46
DGAT2 Q96PD7 1/20 0.45
JAK1 P23458 1/20 0.44
PDE10A Q9Y233 1/20 0.44
CNR1 P21554 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
SCHEMBL7848328 0.92 PDK4 (0.44) PDK4GRM1GRM5GPR119NAMPT
SCHEMBL1198787 0.84 PDE10A (0.56) PDK4GRM1GRM5GPR119NAMPT
SCHEMBL7826168 0.82 DRD4 (0.41) GPR119JAK1
SCHEMBL23290770 0.81 GRM1 (0.46) PDK4GRM1GRM5GPR119JAK1
SCHEMBL7970682 0.80 CNR1 (0.49) PDK4GRM1GRM5GPR119JAK1
SCHEMBL31169315 0.79 GPR119 (0.52) PDK4GRM1GRM5GPR119NAMPT
SCHEMBL30135250 0.78 PDK4 (0.68) PDK4GRM1GRM5NAMPTDGAT2
SCHEMBL2882861 0.78 PDK4 (0.68) PDK4GRM1GRM5NAMPTDGAT2
SCHEMBL30308912 0.77 GRM1 (0.64) PDK4GRM1GRM5GPR119NAMPT
SCHEMBL23216670 0.77 PDK4 (0.58) PDK4GRM1GRM5NAMPTDGAT2

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
US-6303627-B1 FOR THERAPY OF PHYSIOLOGICAL AND PSYCHOLOGICAL DISORDERS ELI LILLY AND COMPANY 2001-10-16 US disclosed
EP-0965587-A1 Tetrahydropyridinyl- and piperidinyl Inhibitors of serotonin reuptake ELI LILLY AND COMPANY (US) 1999-12-22 EP disclosed