SCHEMBL3720375

SCHEMBL3720375

NCCc1ccc2nc(Oc3ccc(OCC4CCCCC4)c(Br)c3)ccc2c1

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 2/20 0.35
KCNH2 Q12809 2/20 0.33
SCN7A Q01118 2/20 0.33
PDE10A Q9Y233 1/20 0.33
PARP15 Q460N3 1/20 0.33
PARP10 Q53GL7 1/20 0.33
HRH3 Q9Y5N1 1/20 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
SCHEMBL3717503 0.95 KCNH2 (0.36) KCNH2SCN7A
SCHEMBL3719459 0.93 PARP10 (0.37) PARP15PARP10
SCHEMBL3721908 0.89 GLA (0.41) MCHR1SCN7A
SCHEMBL3717025 0.87 PARP10 (0.40) KCNH2SCN7APARP15PARP10
SCHEMBL3719602 0.87 SCN7A (0.34) MCHR1KCNH2SCN7APDE10APARP15
SCHEMBL3720845 0.84 MTNR1A (0.46) HRH3
SCHEMBL3720734 0.83 GLA (0.43)
SCHEMBL3726083 0.83 GLA (0.39)
SCHEMBL3722669 0.83 PARP10 (0.37) MCHR1PARP15PARP10
SCHEMBL3721858 0.82 GLA (0.43)

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-2010127208-A1 INHIBITORS OF ACETYL-COA CARBOXYLASE FOREST LABORATORIES HOLDINGS LIMITED (BM) 2010-11-04 WO disclosed