SCHEMBL6218136

SCHEMBL6218136

CC(C)(C)OC(=O)NC(=N)c1ccc2c(c1)C(CCNC(=O)c1cnc3ccccc3c1)CO2

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 1/20 0.40
DRD2 P14416 9/20 0.39
DRD3 P35462 9/20 0.39
HTR1A P08908 5/20 0.39
HTR2C P28335 5/20 0.39
HTR2A P28223 4/20 0.39
HDAC1 Q13547 3/20 0.38
HDAC3 O15379 2/20 0.38
HDAC2 Q92769 1/20 0.38
PPARD Q03181 1/20 0.36
HDAC4 P56524 1/20 0.35
PLD2 O14939 1/20 0.35
PLD1 Q13393 1/20 0.35
HTR1D P28221 1/20 0.35
PREP P48147 1/20 0.34

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
SCHEMBL6212741 0.84 HTR1A (0.34) DRD2DRD3HTR1AHTR2CHDAC1
SCHEMBL6242842 0.84 HTR1A (0.40) DRD2DRD3HTR1AHTR2CPPARD
SCHEMBL2640134 0.84 HTR1A (0.44) HPGDSDRD2DRD3HTR1AHTR2C
SCHEMBL6215027 0.83 CHRM4 (0.41) DRD2DRD3
SCHEMBL6212619 0.82 CHRM4 (0.46) HDAC1HDAC3HDAC2HDAC4
SCHEMBL6217081 0.82 HTR1A (0.37) DRD2DRD3HTR1AHTR2CHTR1D
SCHEMBL6213925 0.81 HTR1A (0.38) DRD2DRD3HTR1AHTR2CHTR1D
SCHEMBL6213248 0.81 HPGD (0.40) HTR1AHTR2CHTR1D
SCHEMBL6216818 0.80 NPC1 (0.41) DRD2DRD3HTR1AHTR2CHDAC1
SCHEMBL6214922 0.80 HTR1A (0.38) HTR1AHTR2CPPARDHTR1D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1222182-B1 SUBSTITUTED (AMINOIMINOMETHYL OR AMINOMETHYL) DIHYDROBENZOFURANS AND BENOZOPYRANS AVENTIS PHARMA INC (US) 2005-11-16 EP disclosed
US-6599918-B2 Inhibit Factor Xa Factor IIa (thrombin) AVENTIS PHARMACEUTICALS INC. 2003-07-29 US disclosed
EP-1222182-A2 SUBSTITUTED (AMINOIMINOMETHYL OR AMINOMETHYL) DIHYDROBENZOFURANS AND BENOZOPYRANS Aventis Pharmaceuticals Inc. (US) 2002-07-17 EP disclosed
WO-2001014358-A2 SUBSTITUTED (AMINOIMINOMETHYL OR AMINOMETHYL) DIHYDROBENZOFURANS AND BENOZOPYRANS AVENTIS PHARMACEUTICALS INC. (DE) 2001-03-01 WO disclosed