SCHEMBL7933783

SCHEMBL7933783

N#Cc1ccc(Cc2ncc(CN(Cc3cccc(Cl)c3)C3CCNC3=O)[nH]2)cc1Oc1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FNTA P49354 16/20 0.39
FNTB P49356 16/20 0.39
PGGT1B P53609 15/20 0.39
NR3C1 P04150 1/20 0.35
BRS3 P32247 1/20 0.34
PSEN1 P49768 1/20 0.33
PSEN2 P49810 1/20 0.33
APH1B Q8WW43 1/20 0.33
NCSTN Q92542 1/20 0.33
APH1A Q96BI3 1/20 0.33
PSENEN Q9NZ42 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
SCHEMBL7933752 0.91 PSEN1 (0.39) FNTAFNTBPGGT1BBRS3PSEN1
Hydrochloric Acid SCHEMBL7927499 0.88 NR3C1 (0.38) FNTAFNTBPGGT1BNR3C1BRS3
SCHEMBL7936786 0.88 DAO (0.38) FNTAFNTBPGGT1BBRS3PSEN1
SCHEMBL7939460 0.84 PSEN1 (0.37) FNTAFNTBPGGT1BBRS3PSEN1
SCHEMBL7936751 0.84 FNTA (0.37) FNTAFNTBPGGT1BNR3C1BRS3
SCHEMBL7933816 0.83 PSEN1 (0.38) PSEN1PSEN2APH1BNCSTNAPH1A
Hydrochloric Acid SCHEMBL7935741 0.78 FNTA (0.42) FNTAFNTBPGGT1BBRS3PSEN1
SCHEMBL7927530 0.77 BRS3 (0.41) FNTAFNTBPGGT1BBRS3PSEN1
SCHEMBL7937371 0.76 PSEN1 (0.47) FNTAFNTBPGGT1BBRS3PSEN1
SCHEMBL7936758 0.74 FNTA (0.52) FNTAFNTBPGGT1B

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