SCHEMBL3722364

SCHEMBL3722364

NCCc1ccc2nc(Oc3ccc(N(CC4CC4)C(=O)O)cc3)ccc2c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 7/20 0.35
LPAR5 Q9H1C0 7/20 0.35
F10 P00742 1/20 0.34
PRSS1 P07477 1/20 0.34
PRSS2 P07478 1/20 0.34
PRSS3 P35030 1/20 0.34
ST14 Q9Y5Y6 1/20 0.34
SCN9A Q15858 1/20 0.34
SCN7A Q01118 4/20 0.33
KCNH2 Q12809 4/20 0.33
NAPEPLD Q6IQ20 1/20 0.33
QPCT Q16769 1/20 0.33
FFAR4 Q5NUL3 2/20 0.33
CHRM5 P08912 1/20 0.33
CHRM1 P11229 1/20 0.33
CHRM3 P20309 1/20 0.33
SCN5A Q14524 1/20 0.33
SCN2A Q99250 1/20 0.33
SCN8A Q9UQD0 1/20 0.33
LOXL2 Q9Y4K0 1/20 0.32

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
SCHEMBL3721627 0.86 MTNR1A (0.48) SCN9ANAPEPLD
SCHEMBL3718579 0.82 PDE4B (0.49) LPAR1LPAR5SCN9ASCN7AKCNH2
SCHEMBL3726174 0.79 MTNR1A (0.48) SCN9ANAPEPLD
SCHEMBL3720089 0.79 TEC (0.37) SCN7AKCNH2
SCHEMBL3726204 0.79 LOXL2 (0.49) LPAR1LPAR5SCN9ALOXL2
SCHEMBL3728071 0.76 MET (0.33) SCN9ANAPEPLD
SCHEMBL3720365 0.76 MAPT (0.41)
SCHEMBL3728075 0.75 SCN9A (0.35) SCN9A
SCHEMBL3722365 0.75 ALOX5 (0.38) SCN9A
SCHEMBL3717827 0.75 ALDH1A1 (0.49)

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