SCHEMBL8947417

SCHEMBL8947417

O=C(O)n1c(=O)[nH]c2ccc(F)cc21

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DAO P14920 4/20 0.63
FEN1 P39748 2/20 0.47
GABRP O00591 4/20 0.45
GABRD O14764 4/20 0.45
GABRA1 P14867 4/20 0.45
GABRB1 P18505 4/20 0.45
GABRG2 P18507 4/20 0.45
GABRB3 P28472 4/20 0.45
GABRA5 P31644 4/20 0.45
GABRA3 P34903 4/20 0.45
GABRA2 P47869 4/20 0.45
GABRB2 P47870 4/20 0.45
GABRA4 P48169 4/20 0.45
GABRE P78334 4/20 0.45
GABRA6 Q16445 4/20 0.45
GABRG1 Q8N1C3 4/20 0.45
GABRG3 Q99928 4/20 0.45
GABRQ Q9UN88 4/20 0.45
KDM4E B2RXH2 2/20 0.42
PDPK1 O15530 1/20 0.42

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
SCHEMBL8947414 0.87 DAO (0.63) DAOFEN1GABRPGABRDGABRA1
SCHEMBL9382665 0.81 CA12 (0.49) DAOHPGDCYP2C19
SCHEMBL7224406 0.81 DAO (0.59) DAOFEN1GABRPGABRDGABRA1
SCHEMBL9382260 0.78 B3GNT2 (0.48) DAOFEN1
SCHEMBL8947431 0.76 HTR3A (0.56) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL11506500 0.76 DAO (0.50) DAOFEN1GABRPGABRDGABRA1
SCHEMBL11506502 0.76 DAO (0.50) DAOFEN1GABRPGABRDGABRA1
SCHEMBL444120 0.75 DAO (0.58) DAO
SCHEMBL9384550 0.75 CA12 (0.52) ALDH1A1PGR
SCHEMBL9387324 0.74 PSMB8 (0.60) FEN1KDM4EALDH1A1LMNAHPGD

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
US-5552408-A Benzimidazoline-2-oxo-1-carboxylic acid derivatives useful as 5-ht receptor antagonists BOEHRINGER INGELHEIM ITALIA S.P.A. (IT) 1996-09-03 US disclosed
US-5358954-A Antiserotonine agent, antiemetic, gastrointestinal disorders BOEHRINGER INGELHEIM ITALIA (IT) 1994-10-25 US disclosed
EP-0309423-B1 New benzimidazoline-2-oxo-1-carboxylic acid derivatives useful as 5-ht receptor antagonists BOEHRINGER INGELHEIM ITALIA (IT) 1994-06-15 EP disclosed
US-5223511-A Benzimidazoline-2-oxo-1-carboxylic acid compounds useful as 5-HT receptor antagonists BOEHRINGER INGELHEIM ITALIA S.P.A. (IT) 1993-06-29 US disclosed
EP-0309423-A2 New benzimidazoline-2-oxo-1-carboxylic acid derivatives useful as 5-ht receptor antagonists BOEHRINGER INGELHEIM ITALIA S.p.A. (IT) 1989-03-29 EP disclosed