SCHEMBL7258388

SCHEMBL7258388

BrCc1ccccc1C1CCCC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 5/20 0.40
SLC6A4 P31645 5/20 0.40
SLC6A3 Q01959 4/20 0.40
PTGDR2 Q9Y5Y4 1/20 0.40
NAAA Q02083 1/20 0.40
PTGS2 P35354 1/20 0.39
HTR1D P28221 2/20 0.36
HTR1B P28222 2/20 0.36
PTPN1 P18031 2/20 0.34
ADRA2A P08913 3/20 0.34
ADRA2B P18089 2/20 0.34
ADRA2C P18825 2/20 0.34
HTR1A P08908 2/20 0.33
HTR2C P28335 1/20 0.33
USP2 O75604 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
CHRM1 P11229 1/20 0.33
CYP2C9 P11712 1/20 0.33
DRD1 P21728 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
SCHEMBL5283227 0.98 PTGDR2 (0.42) SLC6A2SLC6A4SLC6A3PTGDR2NAAA
SCHEMBL1662702 0.91 SLC6A2 (0.42) SLC6A2SLC6A4SLC6A3NAAAADRA2A
SCHEMBL29738150 0.91 SLC6A2 (0.42) SLC6A2SLC6A4SLC6A3NAAAADRA2A
SCHEMBL7257808 0.79 PTGDR2 (0.44) SLC6A2SLC6A4SLC6A3PTGDR2NAAA
SCHEMBL522584 0.79 PTGDR2 (0.44) SLC6A2SLC6A4SLC6A3PTGDR2NAAA
SCHEMBL3750890 0.79 SLC6A2 (0.40) SLC6A2SLC6A4SLC6A3PTGDR2NAAA
SCHEMBL12474580 0.79 PTGDR2 (0.44) SLC6A2SLC6A4SLC6A3PTGDR2NAAA
SCHEMBL677120 0.79 SLC6A2 (0.40) SLC6A2SLC6A4SLC6A3PTGDR2NAAA
SCHEMBL674077 0.78 PTGDR2 (0.42) SLC6A2SLC6A4SLC6A3PTGDR2NAAA
SCHEMBL11754963 0.78 PTGDR2 (0.42) SLC6A2SLC6A4SLC6A3PTGDR2NAAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0728018-B1 New enzymes and prodrugs for ADEPT WELLCOME FOUND (GB) 2003-08-06 EP disclosed
US-6319702-B1 NUCLEOTIDE SEQUENCS CODING AN ENZYMATIC POLYPEPTIDE AND CELL TARGETING COMPOUND; FOR USE IN TREATMENT OF CANCER GLAXO WELLCOME, INC. 2001-11-20 US disclosed
US-6140100-A CONJUGATE POLYPEPTIDE WHICH IS TISSUE PREFERENTIAL; ANTICARCINOGENIC AGENTS GLAXO WELLCOME INC. (US) 2000-10-31 US disclosed
EP-0728018-A1 THERAPY THE WELLCOME FOUNDATION LIMITED (GB) 1996-08-28 EP disclosed
WO-1995013095-A2 THERAPY THE WELLCOME FOUNDATION LIMITED (GB) 1995-05-18 WO disclosed