SCHEMBL4565250

SCHEMBL4565250

CCCCCC(c1ccccc1)(c1ccccc1)c1nnc2n1CCCCCC2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.46
HPGD P15428 6/20 0.45
HSD11B1 P28845 6/20 0.43
HSD11B2 P80365 4/20 0.43
LMNA P02545 2/20 0.40
ALDH1A1 P00352 1/20 0.40
HTT P42858 1/20 0.40
SHMT2 P34897 1/20 0.39
KDM4E B2RXH2 1/20 0.39
CHRM2 P08172 1/20 0.39
CHRM4 P08173 1/20 0.39
HTR1A P08908 1/20 0.39
CHRM5 P08912 1/20 0.39
CYP2D6 P10635 1/20 0.39
CHRM1 P11229 1/20 0.39
DRD2 P14416 1/20 0.39
CHRM3 P20309 1/20 0.39
DRD1 P21728 1/20 0.39
HTR2A P28223 1/20 0.39
OPRM1 P35372 1/20 0.39

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
SCHEMBL4536685 0.86 POLB (0.51) POLBHPGDHSD11B1HSD11B2LMNA
SCHEMBL4536746 0.80 POLB (0.50) POLBHPGDHSD11B1HSD11B2LMNA
SCHEMBL4538193 0.77 HPGD (0.55) POLBHPGDHSD11B1HSD11B2LMNA
SCHEMBL4539384 0.76 HPGD (0.54) POLBHPGDHSD11B1HSD11B2LMNA
SCHEMBL4540694 0.76 HPGD (0.57) POLBHPGDHSD11B1HSD11B2LMNA
SCHEMBL4530372 0.75 POLB (0.48) POLBHPGDHSD11B1HSD11B2LMNA
SCHEMBL4539612 0.70 POLB (0.48) POLBHPGDHSD11B1HSD11B2LMNA
SCHEMBL3835118 0.70 KIF11 (0.59) CYP2D6KCNH2SIGMAR1
SCHEMBL23638633 0.69 HSD11B1 (0.39) POLBHPGDHSD11B1HSD11B2ALDH1A1
SCHEMBL5868580 0.68 KIF11 (0.57) CYP2D6KCNH2SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009073460-A2 INHIBITION OF 11 BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 FOR OCULAR NEUROPROTECTION BAUSCH & LOMB INCORPORATED (US) 2009-06-11 WO disclosed
US-7179802-B2 11-beta-hydroxysteroid dehydrogenase 1 inhibitors useful for the treatment of diabetes, obesity and dyslipidemia MERCK & CO., INC. (US) 2007-02-20 US disclosed
US-7179802-B2 11-beta-hydroxysteroid dehydrogenase 1 inhibitors useful for the treatment of diabetes, obesity and dyslipidemia MERCK & CO., INC. (US) 2007-02-20 US disclosed
US-7179802-B2 11-beta-hydroxysteroid dehydrogenase 1 inhibitors useful for the treatment of diabetes, obesity and dyslipidemia MERCK & CO., INC. (US) 2007-02-20 US disclosed