SCHEMBL7700904

SCHEMBL7700904

Fc1ccc(CCc2ccc(F)cc2F)c(F)c1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.58
AGXT P21549 2/20 0.58
DAO P14920 1/20 0.56
HTR2A P28223 7/20 0.53
HTR2C P28335 7/20 0.53
KDM4E B2RXH2 2/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
ALDH1A1 P00352 1/20 0.46
MAOB P27338 1/20 0.44
NR3C2 P08235 1/20 0.44
KCNH2 Q12809 3/20 0.44
CES2 O00748 1/20 0.41
CES1 P23141 1/20 0.41
DRD2 P14416 1/20 0.41

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
SCHEMBL29431834 0.87 IDO1 (0.57) IDO1AGXTDAOHTR2AHTR2C
SCHEMBL1116576 0.87 IDO1 (0.57) IDO1AGXTDAOHTR2AHTR2C
SCHEMBL1385782 0.87 IDO1 (0.52) IDO1AGXTDAOHTR2AHTR2C
SCHEMBL27465879 0.87 DAO (0.47) IDO1AGXTDAOHTR2AHTR2C
SCHEMBL13376628 0.85 IDO1 (0.50) IDO1AGXTDAOHTR2AHTR2C
Hydrochloric Acid SCHEMBL2209462 0.85 IDO1 (0.59) IDO1AGXTDAOHTR2AHTR2C
SCHEMBL1121847 0.85 IDO1 (0.50) IDO1AGXTDAOHTR2AHTR2C
SCHEMBL17552660 0.85 IDO1 (0.50) IDO1AGXTDAOHTR2AHTR2C
SCHEMBL7337981 0.85 IDO1 (0.50) IDO1AGXTDAOHTR2AHTR2C
SCHEMBL3124398 0.85 IDO1 (0.50) IDO1AGXTDAOHTR2AHTR2C

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
US-6342504-B1 PEPTIDES AS ANTITHROMBINS AND ANTICOAGULANTS CORVAS INTERNATIONAL, INC. 2002-01-29 US disclosed