SCHEMBL3720087

SCHEMBL3720087

CCNc1ccc2nc(Oc3ccc(OCC4CC4)cc3)ccc2c1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.38
SCN7A Q01118 5/20 0.36
KCNH2 Q12809 5/20 0.35
KDM4C Q9H3R0 1/20 0.35
ACACA Q13085 2/20 0.35
SLC6A2 P23975 3/20 0.34
SLC6A4 P31645 3/20 0.34
SLC6A3 Q01959 2/20 0.34
KDM4E B2RXH2 1/20 0.34
LMNA P02545 1/20 0.34
HTR3A P46098 2/20 0.34
ACACB O00763 2/20 0.34
MTNR1A P48039 1/20 0.34
P2RX3 P56373 1/20 0.34
PDE4A P27815 1/20 0.33
PDE4D Q08499 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
SCHEMBL3717024 0.95 SCN7A (0.38) MAPTSCN7AKCNH2ACACB
SCHEMBL3720733 0.87 ACACB (0.39) MAPTACACAACACBP2RX3
SCHEMBL3718624 0.87 ACACB (0.46) MAPTACACAACACB
SCHEMBL3717502 0.87 KCNH2 (0.36) MAPTSCN7AKCNH2PDE4APDE4D
SCHEMBL3720292 0.83 MAPT (0.41) MAPTSCN7AACACALMNAACACB
SCHEMBL3722666 0.83 MAOA (0.37) MAPTACACAACACB
SCHEMBL3726999 0.82 GPR4 (0.39) SCN7AKCNH2KDM4CACACASLC6A2
SCHEMBL3721905 0.82 EPHA2 (0.38) ACACASLC6A4ACACB
SCHEMBL3720374 0.82 EGFR (0.34) MAPTSCN7AKCNH2
SCHEMBL3719458 0.82 PARP15 (0.37) MAPTACACAACACB

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