SCHEMBL5586539

SCHEMBL5586539

Fc1cccc(-c2cccc3c2O[CH]C3)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 2/20 0.44
HTR7 P34969 2/20 0.44
NOTUM Q6P988 1/20 0.38
TAAR1 Q96RJ0 2/20 0.36
ESR2 Q92731 1/20 0.36
PARP10 Q53GL7 1/20 0.35
PARP11 Q9NR21 1/20 0.35
MAPT P10636 2/20 0.35
LMNA P02545 1/20 0.35
TP53 P04637 1/20 0.35
ALOX15 P16050 1/20 0.35
ALOX12 P18054 1/20 0.35
NFKB1 P19838 1/20 0.35
MAPK1 P28482 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
PIK3R1 P27986 1/20 0.35
PIK3CA P42336 1/20 0.35
CHRNB4 P30926 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
SCHEMBL28769082 0.86 HTR1A (0.37) HTR1AHTR7NOTUMTAAR1ESR2
SCHEMBL5583652 0.81 ENPP3 (0.40) PARP10PARP11ALOX15ALOX12SMN1; SMN2
SCHEMBL5583557 0.81 HTR1A (0.44) HTR1AHTR7NOTUMTAAR1PARP10
SCHEMBL4761887 0.80 HTR1A (0.48) HTR1AHTR7NOTUMPARP10PARP11
SCHEMBL27703048 0.80 HTR1A (0.36) HTR1AHTR7TAAR1ESR2PARP10
SCHEMBL5583548 0.77 HTR1A (0.48) HTR1AHTR7NOTUMMAPTLMNA
SCHEMBL5586507 0.75 HTR1A (0.47) HTR1AHTR7NOTUMPARP10PARP11
SCHEMBL5586519 0.73 NPC1 (0.35) HTR7MAPTLMNATP53ALOX15
SCHEMBL6374163 0.73 BCAT1 (0.33) HTR1AHTR7PIK3R1PIK3CAPDE3B
SCHEMBL5583665 0.73 CYP11B1 (0.47) MAPTLMNATP53ALOX15SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2007509174-A 2007-04-12 JP claimed
EP-1675840-A1 DIHYDROBENZOFURANYL ALKANAMINE DERIVATIVES AS 5HT2C AGONISTS Wyeth a Corporation of the State of Delaware (US) 2006-07-05 EP claimed
WO-2005044812-A1 DIHYDROBENZOFURANYL ALKANAMINE DERIVATIVES AS 5HT2C AGONISTS WYETH A CORPORATION OF THE STATE OF DELAWARE (US) 2005-05-19 WO claimed