SCHEMBL6969963

SCHEMBL6969963

C=CCc1c(C(F)(F)F)ccc(Br)c1O

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 3/20 0.33
GABRB2 P47870 3/20 0.33
MAPT P10636 5/20 0.31
MEN1 O00255 4/20 0.31
KMT2A Q03164 4/20 0.31
NPSR1 Q6W5P4 3/20 0.31
LMNA P02545 1/20 0.31
XBP1 P17861 1/20 0.31
MAPK1 P28482 1/20 0.31
NOTUM Q6P988 1/20 0.31
XDH P47989 1/20 0.31
SRD5A1 P18405 1/20 0.30
TMPRSS4 Q9NRS4 1/20 0.30
EPHX1 P07099 1/20 0.30
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
ALDH2 P05091 1/20 0.30
GAA P10253 1/20 0.30
AKR1B1 P15121 1/20 0.30
HPGD P15428 1/20 0.30

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
SCHEMBL17843544 0.81 KIF11 (0.36) GABRA1GABRB2MAPTMEN1KMT2A
SCHEMBL4218723 0.79 HTR3E (0.36) GABRA1GABRB2MAPTMEN1KMT2A
SCHEMBL4222270 0.79 GABRA1 (0.35) GABRA1GABRB2MAPTMEN1KMT2A
SCHEMBL21175883 0.75 GABRA1 (0.35) GABRA1GABRB2MAPTMEN1KMT2A
SCHEMBL1987173 0.74 GABRA1 (0.38) GABRA1GABRB2MAPTMEN1KMT2A
SCHEMBL19828710 0.72 GAA (0.34) GABRA1GABRB2MAPTMEN1KMT2A
Phenol SCHEMBL17260915 0.72 CLCN2 (0.33) GABRA1GABRB2MAPTMEN1KMT2A
SCHEMBL19511725 0.71 KDM4E (0.40) GABRA1GABRB2MAPTMEN1KMT2A
SCHEMBL17974429 0.71 XDH (0.42) GABRA1GABRB2MAPTMEN1KMT2A
SCHEMBL2299901 0.70 XDH (0.43) GABRA1GABRB2MAPTMEN1KMT2A

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
US-6638936-B1 Treatment of obesity in mammals, comprising administering to mammal in need of such treatment, treatment of obsessive compulsive disorder in mammals, comprising administering to a mammal treatment of depression in mammals ELI LILLY AND COMPANY 2003-10-28 US disclosed
EP-1204658-B1 BENZOFURYLPIPERAZINE SEROTONIN AGONISTS LILLY CO ELI (US) 2003-05-07 EP disclosed
EP-1204658-A1 BENZOFURYLPIPERAZINE SEROTONIN AGONISTS ELI LILLY AND COMPANY (US) 2002-05-15 EP disclosed
WO-2001009123-A1 BENZOFURYLPIPERAZINE SEROTONIN AGONISTS ELI LILLY AND COMPANY (US) 2001-02-08 WO disclosed