SCHEMBL3728071

SCHEMBL3728071

NCCc1ccc2nc(Oc3ccc(NCC4CC4)cc3)ccc2c1

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MET P08581 1/20 0.33
ACHE P22303 1/20 0.33
BACE1 P56817 1/20 0.33
TEC P42680 1/20 0.33
SCN9A Q15858 6/20 0.33
NAPEPLD Q6IQ20 1/20 0.32
TAAR5 O14804 1/20 0.32
TAAR1 Q96RJ0 1/20 0.32
LTA4H P09960 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
SCHEMBL3719936 0.85 MET (0.35) METACHEBACE1SCN9ANAPEPLD
SCHEMBL3720089 0.83 TEC (0.37) TEC
SCHEMBL3720268 0.83 KDM4E (0.36) BACE1SCN9ALTA4H
SCHEMBL3720365 0.80 MAPT (0.41) TECTAAR5TAAR1
SCHEMBL3719857 0.80 ALDH1A1 (0.37)
SCHEMBL3722383 0.79 CYP1A2 (0.35) TECSCN9ATAAR5TAAR1
SCHEMBL3717025 0.78 PARP10 (0.40)
Trifluoroacetic Acid SCHEMBL3802671 0.78 MTNR1A (0.45) SCN9A
SCHEMBL3722576 0.78 TLR8 (0.40) TAAR5TAAR1
SCHEMBL3717202 0.77 ACACB (0.38) TECTAAR5TAAR1

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