SCHEMBL7927439

SCHEMBL7927439

N#Cc1ccc(Cc2ncc(CN(c3ccc(Cl)cc3)C3CCNC3=O)[nH]2)cc1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 15/20 0.45
PSEN2 P49810 15/20 0.45
APH1B Q8WW43 15/20 0.45
NCSTN Q92542 15/20 0.45
APH1A Q96BI3 15/20 0.45
PSENEN Q9NZ42 15/20 0.45
BRS3 P32247 1/20 0.35
KDM1A O60341 1/20 0.35
HRH3 Q9Y5N1 1/20 0.34
ABCC8 Q09428 1/20 0.33
KCNJ11 Q14654 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
SCHEMBL7937436 0.89 PSEN1 (0.39) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7937371 0.89 PSEN1 (0.47) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7937519 0.86 PSEN1 (0.38) PSEN1PSEN2APH1BNCSTNAPH1A
Hydrochloric Acid SCHEMBL7935741 0.80 FNTA (0.42) PSEN1PSEN2APH1BNCSTNAPH1A
Hydrochloric Acid SCHEMBL7935975 0.75 FNTA (0.52)
Hydrochloric Acid SCHEMBL7935977 0.75 FNTA (0.52)
SCHEMBL7841577 0.74 NOS2 (0.47) BRS3KDM1A
SCHEMBL7927444 0.73 BRS3 (0.36) BRS3
SCHEMBL8105207 0.73 BRS3 (0.53) BRS3HRH3
SCHEMBL7936786 0.71 DAO (0.38) PSEN1PSEN2APH1BNCSTNAPH1A

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-2001017992-A1 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 2001-03-15 WO disclosed