SCHEMBL11379151

SCHEMBL11379151

Cc1c(CC(C)CN2C[C@@H](C)O[C@@H](C)C2)cccc1C(C)(C)C

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.57
EBP Q15125 1/20 0.57
ADORA3 P0DMS8 1/20 0.51
CHRM1 P11229 1/20 0.51
DRD3 P35462 1/20 0.51
KCNH2 Q12809 1/20 0.51
ALDH1A1 P00352 4/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
CYP2A13 Q16696 1/20 0.40
MAPK1 P28482 2/20 0.40
KDM4E B2RXH2 4/20 0.39
HTT P42858 1/20 0.39
GAA P10253 1/20 0.36
TSHR P16473 1/20 0.36
POLB P06746 2/20 0.36
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
THRB P10828 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34

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
Hydrochloric Acid SCHEMBL11387792 0.99 SIGMAR1 (0.56) SIGMAR1EBPADORA3CHRM1DRD3
SCHEMBL2133759 0.89 SIGMAR1 (0.61) SIGMAR1EBPADORA3CHRM1DRD3
SCHEMBL2133766 0.89 SIGMAR1 (0.61) SIGMAR1EBPADORA3CHRM1DRD3
SCHEMBL11389383 0.85 SIGMAR1 (0.54) SIGMAR1EBPADORA3CHRM1DRD3
Hydrochloric Acid SCHEMBL1934868 0.80 ADORA3 (0.62) SIGMAR1EBPADORA3CHRM1DRD3
Hydrochloric Acid SCHEMBL1934864 0.80 ADORA3 (0.62) SIGMAR1EBPADORA3CHRM1DRD3
SCHEMBL10500566 0.76 EBP (0.51) SIGMAR1EBPADORA3CHRM1DRD3
SCHEMBL10576529 0.76 EBP (0.51) SIGMAR1EBPADORA3CHRM1DRD3
SCHEMBL11383697 0.75 EBP (0.54) SIGMAR1EBPADORA3CHRM1DRD3
SCHEMBL10440144 0.75 SIGMAR1 (0.59) SIGMAR1EBPADORA3CHRM1DRD3

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-4301284-A FUNGICIDES BASF AKTIENGESELLSCHAFT (DE) 1981-11-17 US disclosed