SCHEMBL3868463

SCHEMBL3868463

CNC(CCOc1ccc(C(F)(F)F)cc1)c1ccc(OC(=O)N(C)C)cc1

nearest known ligand 0.69

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.69
SLC6A4 P31645 2/20 0.69
FAAH O00519 2/20 0.43
RAB9A P51151 1/20 0.42
UTS2R Q9UKP6 4/20 0.41
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 1/20 0.41
NPC1 O15118 1/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
BCHE P06276 1/20 0.40

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
Hydrochloric Acid SCHEMBL3864834 0.99 ACHE (0.67) ACHESLC6A4FAAHRAB9AUTS2R
SCHEMBL3865161 0.89 ACHE (0.56) ACHESLC6A4FAAH
Hydrochloric Acid SCHEMBL3866071 0.89 ACHE (0.55) ACHESLC6A4FAAH
SCHEMBL3863741 0.87 ACHE (0.72) ACHESLC6A4FAAHRAB9AKDM4E
Hydrochloric Acid SCHEMBL3867612 0.86 ACHE (0.71) ACHESLC6A4FAAHRAB9AKDM4E
Hydrochloric Acid SCHEMBL3868973 0.85 ACHE (0.72) ACHESLC6A4FAAHRAB9AUTS2R
Hydrochloric Acid SCHEMBL3863685 0.85 ACHE (0.72) ACHESLC6A4FAAHRAB9AALDH1A1
SCHEMBL3864804 0.85 ACHE (0.72) ACHESLC6A4RAB9AUTS2R
SCHEMBL3867266 0.85 ACHE (0.72) ACHESLC6A4RAB9AUTS2R
Hydrochloric Acid SCHEMBL3867290 0.84 ACHE (0.71) ACHESLC6A4RAB9AUTS2RBCHE

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
US-7504437-B2 Benzylamine analogues BTG INTERNATIONAL LIMITED (GB) 2009-03-17 US claimed