SCHEMBL1499400

SCHEMBL1499400

c1cc(Oc2cccc3[nH]ccc23)c2cc[nH]c2c1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RHEB Q15382 6/20 0.73
TRPA1 O75762 1/20 0.69
AHR P35869 1/20 0.54
HTR1B P28222 2/20 0.50
MEN1 O00255 2/20 0.49
MAPK1 P28482 2/20 0.49
KMT2A Q03164 2/20 0.49
MAPT P10636 1/20 0.49
HTR1A P08908 6/20 0.47
DRD4 P21917 2/20 0.47
DRD3 P35462 2/20 0.47
DRD2 P14416 1/20 0.47
CYP1A2 P05177 2/20 0.45
CYP3A4 P08684 2/20 0.45
LMNA P02545 2/20 0.45
ADRB2 P07550 2/20 0.45
ADRB1 P08588 2/20 0.45
ADRB3 P13945 2/20 0.45
KDM4E B2RXH2 1/20 0.45
USP2 O75604 1/20 0.45

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
SCHEMBL23709718 0.87 RHEB (0.79) RHEBTRPA1AHRHTR1BMEN1
SCHEMBL20536057 0.87 TRPA1 (0.74) RHEBTRPA1AHRHTR1BMEN1
SCHEMBL4716647 0.86 RHEB (0.69) RHEBTRPA1AHRHTR1BMEN1
SCHEMBL20536085 0.86 RHEB (1.00) RHEBTRPA1AHRHTR1BMEN1
SCHEMBL30681623 0.84 AHR (0.57) RHEBTRPA1AHRHTR1BMEN1
SCHEMBL9687165 0.83 RHEB (0.55) RHEBTRPA1AHRHTR1BMEN1
SCHEMBL23709518 0.83 RHEB (0.73) RHEBTRPA1AHRHTR1BMEN1
SCHEMBL12320529 0.83 RHEB (0.59) RHEBTRPA1AHRHTR1BMEN1
SCHEMBL321761 0.83 RHEB (0.54) RHEBTRPA1AHRHTR1BMEN1
SCHEMBL7809978 0.83 RHEB (0.54) RHEBTRPA1AHRHTR1BMEN1

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
JP-2011508053-A 2011-03-10 JP claimed
EP-2242776-A1 MOLAR RATIO MODIFICATIONS TO LARGER POLYOLEFIN CATALYSTS BASF Corporation (US) 2010-10-27 EP claimed
WO-2009088596-A1 MOLAR RATIO MODIFICATIONS TO LARGER POLYOLEFIN CATALYSTS BASF CATALYSTS LLC (US) 2009-07-16 WO claimed
US-6242450-B1 SUBSTITUTED PIPERIDINES ELI LILLY AND COMPANY 2001-06-05 US disclosed
WO-2000006082-A2 TREATMENT OF ANXIETY DISORDERS ELI LILLY AND COMPANY (US) 2000-02-10 WO disclosed
WO-2000006166-A1 5-HT1F ANTAGONISTS ELI LILLY AND COMPANY (US) 2000-02-10 WO disclosed
EP-0976746-A1 5-HT1F antagonists ELI LILLY AND COMPANY (US) 2000-02-02 EP disclosed
EP-0976747-A2 Use of 5HT-1F receptor antagonists for treating anxiety disorders ELI LILLY AND COMPANY (US) 2000-02-02 EP disclosed