SCHEMBL13625939

SCHEMBL13625939

OCc1cc(CN2CCN(I)CC2)on1

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ADRA1D P25100 4/20 0.52
ADRA1A P35348 4/20 0.52
ADRA1B P35368 3/20 0.52
HRH3 Q9Y5N1 2/20 0.38
LMNA P02545 2/20 0.36
NOTUM Q6P988 2/20 0.36
THRB P10828 2/20 0.33

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
SCHEMBL4311895 0.84 ADRA1D (0.52) ADRA1DADRA1AADRA1BHRH3LMNA
SCHEMBL2254217 0.82 ADRA1D (0.50) ADRA1DADRA1AADRA1BHRH3LMNA
SCHEMBL13616479 0.77 ADRA1D (0.46) ADRA1DADRA1AADRA1BHRH3LMNA
SCHEMBL6100479 0.74 LMNA (0.51) ADRA1DADRA1AADRA1BHRH3LMNA
SCHEMBL13625846 0.73 SMN1; SMN2 (0.53) LMNANOTUM
SCHEMBL2121795 0.67
SCHEMBL19762486 0.67
SCHEMBL2759543 0.67
SCHEMBL19762488 0.67
SCHEMBL15008976 0.66 LMNA (0.49) HRH3LMNATHRB

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
WO-2009137380-A1 3-HYDRAZONE PIPERAZINYL RIFAMYCIN DERIVATIVES USEFUL AS ANTIMICROBIAL AGENTS JANSSEN PHARMACEUTICA NV (BE) 2009-11-12 WO disclosed