SCHEMBL7936751

SCHEMBL7936751

N#Cc1ccc(OCCCc2ccccc2)cc1Cc1ncc(CN(Cc2cccc(Cl)c2)C2CCNC2=O)[nH]1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FNTA P49354 2/20 0.37
FNTB P49356 2/20 0.37
PGGT1B P53609 1/20 0.37
NOS2 P35228 4/20 0.34
NOS3 P29474 3/20 0.33
NOS1 P29475 3/20 0.33
PSEN1 P49768 3/20 0.33
PSEN2 P49810 3/20 0.33
APH1B Q8WW43 3/20 0.33
NCSTN Q92542 3/20 0.33
APH1A Q96BI3 3/20 0.33
PSENEN Q9NZ42 3/20 0.33
BRS3 P32247 1/20 0.33
PLA2G7 Q13093 1/20 0.32
GHSR Q92847 1/20 0.32
PGR P06401 1/20 0.32
NR3C1 P04150 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
Hydrochloric Acid SCHEMBL7927499 0.92 NR3C1 (0.38) FNTAFNTBPGGT1BNOS2NOS3
SCHEMBL7933816 0.91 PSEN1 (0.38) NOS2NOS3NOS1PSEN1PSEN2
SCHEMBL7939460 0.88 PSEN1 (0.37) FNTAFNTBPGGT1BNOS2NOS3
SCHEMBL7933783 0.84 FNTA (0.39) FNTAFNTBPGGT1BPSEN1PSEN2
SCHEMBL7936786 0.82 DAO (0.38) FNTAFNTBPGGT1BNOS2NOS3
SCHEMBL7933752 0.81 PSEN1 (0.39) FNTAFNTBPGGT1BPSEN1PSEN2
SCHEMBL7927530 0.81 BRS3 (0.41) FNTAFNTBPGGT1BPSEN1PSEN2
SCHEMBL7927492 0.77 BRS3 (0.37) NOS2NOS3NOS1BRS3PGR
SCHEMBL7937452 0.76 FNTA (0.47) FNTAFNTBPGGT1B
SCHEMBL7939467 0.76 PSEN1 (0.39) FNTAFNTBPGGT1BNOS2NOS3

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