SCHEMBL9986456

SCHEMBL9986456

CC(C)(C)OC(=O)N1CCCC(c2ccn[nH]2)C1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 2/20 0.49
JAK2 O60674 1/20 0.48
JAK1 P23458 1/20 0.48
KDM4E B2RXH2 2/20 0.46
ALDH1A1 P00352 2/20 0.46
GLA P06280 1/20 0.46
HPGD P15428 1/20 0.46
RECQL P46063 1/20 0.46
HSD17B10 Q99714 1/20 0.46
MAPT P10636 2/20 0.44
THRB P10828 1/20 0.44
CCNK O75909 1/20 0.44
CDK12 Q9NYV4 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
HTT P42858 1/20 0.43
TRPV3 Q8NET8 1/20 0.43
FPR2 P25090 1/20 0.43
USP30 Q70CQ3 1/20 0.43
CYP2C9 P11712 1/20 0.42

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
SCHEMBL16827922 0.86 MAPT (0.60) HPGDSJAK2JAK1KDM4EALDH1A1
SCHEMBL16827990 0.82 GPR119 (0.46) JAK2JAK1KDM4EALDH1A1MAPT
SCHEMBL16992212 0.79 HCAR1 (0.46) KDM4EALDH1A1MAPTTHRBHTT
SCHEMBL26667052 0.79 PDE4B (0.52) HPGDSJAK2JAK1ALDH1A1HPGD
SCHEMBL25343613 0.79 PDE4B (0.52) HPGDSJAK2JAK1ALDH1A1HPGD
SCHEMBL12539534 0.78 JAK2 (0.48) HPGDSJAK2JAK1KDM4EALDH1A1
SCHEMBL8037259 0.78 HPGDS (0.49) HPGDSJAK2JAK1KDM4EALDH1A1
SCHEMBL1969566 0.78 USP30 (0.50) HPGDSJAK2JAK1TRPV3USP30
SCHEMBL7464833 0.77 GPR119 (0.54) HPGDSJAK2JAK1ALDH1A1HPGD
SCHEMBL29806002 0.77 USP30 (0.56) JAK2JAK1MEN1KMT2AUSP30

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
US-8080566-B1 Carbazole inhibitors of histamine receptors for the treatment of disease KALYPSYS, INC (US) 2011-12-20 US disclosed