SCHEMBL7959537

SCHEMBL7959537

COCCOCc1cc(Br)ccc1F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 1/20 0.36
BRD4 O60885 1/20 0.36
BRD2 P25440 1/20 0.36
BRD3 Q15059 1/20 0.36
BRDT Q58F21 1/20 0.36
DPP4 P27487 1/20 0.36
USP28 Q96RU2 1/20 0.35
MAPT P10636 3/20 0.34
ALDH1A1 P00352 3/20 0.34
KDM4E B2RXH2 4/20 0.33
TDP1 Q9NUW8 3/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
THRB P10828 2/20 0.33
HPGD P15428 1/20 0.33
MEN1 O00255 1/20 0.33
USP2 O75604 1/20 0.33
GAA P10253 1/20 0.33
ALOX15 P16050 1/20 0.33
CASP1 P29466 1/20 0.33
HTT P42858 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
SCHEMBL7958892 0.90 SLC6A4 (0.43) SLC6A4BRD4BRD2BRD3BRDT
SCHEMBL8421522 0.87 PYCR1 (0.41) SLC6A4MAPTMEN1KMT2ACCR5
SCHEMBL5691042 0.84 USP28 (0.38) BRD4BRD2BRD3BRDTDPP4
SCHEMBL28371996 0.84 USP28 (0.40) BRD4BRD2BRD3BRDTDPP4
SCHEMBL30674161 0.83 ALDH1A1 (0.36) MAPTALDH1A1KDM4ETDP1L3MBTL1
SCHEMBL9344455 0.83 ALDH1A1 (0.36) MAPTALDH1A1KDM4ETDP1L3MBTL1
SCHEMBL20745462 0.83 ALDH1A1 (0.36) MAPTALDH1A1KDM4ETDP1L3MBTL1
SCHEMBL7958910 0.81 CCR5 (0.40) SLC6A4ALDH1A1KDM4ETDP1CCR5
SCHEMBL7957090 0.81 SLC6A4 (0.39) SLC6A4BRD4BRD2BRD3BRDT
SCHEMBL3372566 0.80 KDM4E (0.49) MAPTALDH1A1KDM4ETDP1L3MBTL1

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-6245761-B1 NERVOUS SYSTEM, CARDIOVASCULAR AND RESPIRATORY SYSTEM DISORDERS ELI LILLY AND COMPANY 2001-06-12 US disclosed
EP-0789688-A4 INDOLYL NEUROPEPTIDE Y RECEPTOR ANTAGONISTS LILLY CO ELI (US) 1997-11-19 EP disclosed
EP-0789688-A1 INDOLYL NEUROPEPTIDE Y RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 1997-08-20 EP disclosed
WO-1997009308-A1 INDOLYL NEUROPEPTIDE Y RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 1997-03-13 WO disclosed