SCHEMBL6305693

SCHEMBL6305693

C=CCOc1cc(C(F)(F)F)ccc1Br

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.40
HTT P42858 1/20 0.40
KMT2A Q03164 1/20 0.40
HPGD P15428 2/20 0.39
ALDH1A1 P00352 2/20 0.39
TSHR P16473 2/20 0.37
GAA P10253 1/20 0.37
MAPK1 P28482 3/20 0.35
LIG1 P18858 1/20 0.35
AGER Q15109 1/20 0.35
LMNA P02545 2/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
PTPN1 P18031 2/20 0.33
CA12 O43570 2/20 0.33
CA1 P00915 2/20 0.33
CA9 Q16790 2/20 0.33
HSD17B10 Q99714 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
SCHEMBL17843547 0.82 IDO1 (0.41) MEN1HTTKMT2ATSHRGAA
SCHEMBL4236099 0.81 ADRA2A (0.40) KMT2ATSHRGAA
SCHEMBL324631 0.78 MAPT (0.47) MEN1HTTKMT2AHPGDALDH1A1
SCHEMBL4524912 0.78 CYP2C19 (0.50) MEN1KMT2AHPGDALDH1A1TSHR
SCHEMBL16619915 0.77 GAA (0.37) MEN1HTTKMT2AHPGDALDH1A1
SCHEMBL23648069 0.77 L3MBTL1 (0.38) HTTKMT2AHPGDALDH1A1LMNA
SCHEMBL31312955 0.76 HPGD (0.43) MEN1HTTKMT2AHPGDALDH1A1
SCHEMBL25403106 0.76 HPGD (0.43) MEN1HTTKMT2AHPGDALDH1A1
SCHEMBL15126164 0.76 ALDH1A1 (0.57) HPGDALDH1A1TSHRGAALIG1
SCHEMBL15109776 0.76 GAA (0.63) HPGDALDH1A1TSHRGAALIG1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6967201-B1 for increasing activation of the 5-HT2C receptor in mammals; treatment of depression, obesity, bulimia, premenstrual syndrome, alcoholism, tobacco abuse, panic disorder ELI LILLY AND COMPANY (US) 2005-11-22 US disclosed
US-6881733-B1 Serotonergic benzofurans ELI LILLY AND COMPANY (US) 2005-04-19 US disclosed
EP-1204659-B1 SEROTONERGIC BENZOFURANS LILLY CO ELI (US) 2003-11-26 EP disclosed
EP-1204654-B1 BENZOFURYLPIPERAZINES: 5-HT2C SEROTONIN RECEPTOR AGONISTS LILLY CO ELI (US) 2003-07-23 EP disclosed
EP-1204659-A2 SEROTONERGIC BENZOFURANS ELI LILLY AND COMPANY (US) 2002-05-15 EP disclosed
EP-1204654-A1 BENZOFURYLPIPERAZINES AND BENZOFURYLHOMOPIPERAZINES: SEROTONIN AGONISTS ELI LILLY AND COMPANY (US) 2002-05-15 EP disclosed
WO-2001009111-A1 BENZOFURYLPIPERAZINES AND BENZOFURYLHOMOPIPERAZINES: SEROTONIN AGONISTS ELI LILLY AND COMPANY (US) 2001-02-08 WO disclosed
WO-2001009122-A2 SEROTONERGIC BENZOFURANS ELI LILLY AND COMPANY (US) 2001-02-08 WO disclosed