SCHEMBL7923183

SCHEMBL7923183

Cc1ccccc1C(=CCBr)c1ccccc1C

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ERCC5 P28715 1/20 0.39
FEN1 P39748 1/20 0.39
SLC6A1 P30531 3/20 0.39
CHRM3 P20309 1/20 0.38
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
HPGD P15428 2/20 0.37
GPR52 Q9Y2T5 1/20 0.37
TSHR P16473 1/20 0.36
ACHE P22303 1/20 0.36
KMT2A Q03164 1/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35

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
SCHEMBL7917518 0.89 SLC6A1 (0.44) ERCC5FEN1SLC6A1HPGDGPR52
SCHEMBL7928727 0.89 SLC6A1 (0.44) ERCC5FEN1SLC6A1HPGDGPR52
SCHEMBL7923055 0.77 MTNR1A (0.47) MAOBKMT2ANPC1RAB9A
SCHEMBL7923057 0.77 MTNR1A (0.47) MAOBKMT2ANPC1RAB9A
SCHEMBL5724863 0.76 SLC6A1 (0.43) ERCC5FEN1SLC6A1CHRM3MAOA
SCHEMBL5724891 0.76 SLC6A1 (0.43) ERCC5FEN1SLC6A1CHRM3MAOA
SCHEMBL8733487 0.75 TSHR (0.45) ERCC5FEN1CHRM3MAOAMAOB
SCHEMBL1315344 0.75 SLC6A1 (0.36) ERCC5FEN1SLC6A1CHRM3MAOA
SCHEMBL14415792 0.75 MAOA (0.42) ERCC5FEN1SLC6A1CHRM3MAOA
SCHEMBL1318497 0.72 SLC6A1 (0.40) ERCC5FEN1SLC6A1CHRM3GPR52

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6174898-B1 TREATING FILARIAE IN LYMPHATIC SYSTEM BY ADMINISTERING N-SUBSTITUTED AZAHETEROCYCLIC CARBOXYLIC ACIDS AND ESTERS IN WHICH A SUBSTITUTED ALKYL CHAIN FORMS PART OF N-SUBSTITUENT AND SALTS NOVO NORDISK A/S (DK) 2001-01-16 US disclosed
EP-0858339-A1 A METHOD OF TREATING FILARIAE NOVO NORDISK A/S (DK) 1998-08-19 EP disclosed
EP-0502031-B1 N-SUBSTITUTED AZAHETEROCYCLIC CARBOXYLIC ACIDS AND A PHARMACEUTICAL COMPOSITION NOVO NORDISK AS (DK) 1997-08-20 EP disclosed
WO-1997017073-A1 A METHOD OF TREATING FILARIAE NOVO NORDISK A/S (DK) 1997-05-15 WO disclosed
US-5198451-A Treatment of epilepsy, inhibitors of gamma-aminobutyric acid uptake from synaptic cleft NOVO NORDISK A/S (DK) 1993-03-30 US disclosed
EP-0502031-A1 N-SUBSTITUTED AZAHETEROCYCLIC CARBOXYLIC ACIDS AND A PHARMACEUTICAL COMPOSITION. NOVO NORDISK AS (DK) 1992-09-09 EP disclosed
WO-1991007389-A1 N-SUBSTITUTED AZAHETEROCYCLIC CARBOXYLIC ACIDS AND A PHARMACEUTICAL COMPOSITION NOVO NORDISK A/S (DK) 1991-05-30 WO disclosed