SCHEMBL8445812

SCHEMBL8445812

CC(=O)NC[C@H]1C=C(c2ccc(C3=CCNCC3)c(F)c2)C(=O)O1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.40
CCNT1 O60563 2/20 0.36
CDK9 P50750 2/20 0.36
CD274 Q9NZQ7 1/20 0.35
SLC6A2 P23975 3/20 0.35
CTSL P07711 1/20 0.35
CTSB P07858 1/20 0.35
CTSS P25774 1/20 0.35
CTSK P43235 1/20 0.35
BTK Q06187 1/20 0.35
PDE3B Q13370 1/20 0.34
PDE3A Q14432 1/20 0.34
ALOX5AP P20292 1/20 0.34
FEN1 P39748 1/20 0.34
HTR2C P28335 1/20 0.33
HTR6 P50406 1/20 0.33
CHRM2 P08172 1/20 0.33
CHRM4 P08173 1/20 0.33
CHRM5 P08912 1/20 0.33
CHRM1 P11229 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
SCHEMBL8445906 0.88 HTR2C (0.40) CTSLCTSBCTSSCTSKHTR2C
SCHEMBL8447784 0.81 MAOA (0.33) MAOA
SCHEMBL8450015 0.80 MAOA (0.39) MAOACCNT1CDK9
SCHEMBL8445102 0.78 PDK4 (0.44) CDK9HTR6
SCHEMBL8641554 0.77 MAOA (0.46) MAOASLC6A2PDE3BPDE3A
SCHEMBL7126966 0.74 CCNT1 (0.37) MAOACCNT1CDK9CD274BTK
SCHEMBL5678811 0.74 MAOA (0.71) MAOA
Hydrochloric Acid SCHEMBL5678897 0.74 MAOA (0.71) MAOA
Hydrochloric Acid SCHEMBL5678891 0.74 MAOA (0.71) MAOA
SCHEMBL5678812 0.74 MAOA (0.71) MAOA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0912561-A1 3-PHENYL-FURAN-(5H)-2-ONE AND DIHYDROFURAN-2-ONE DERIVATIVES AS ANTIBACTERIAL AGENTS AstraZeneca AB (SE) 1999-05-06 EP disclosed
WO-1997043280-A1 3-PHENYL-FURAN-(5H)-2-ONE AND DIHYDROFURAN-2-ONE DERIVATIVES AS ANTIBACTERIAL AGENTS ZENECA LIMITED (GB) 1997-11-20 WO disclosed