SCHEMBL8947414

SCHEMBL8947414

O=C(O)n1c(=O)[nH]c2cc(F)ccc21

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DAO P14920 5/20 0.63
FEN1 P39748 2/20 0.47
GABRP O00591 3/20 0.47
GABRD O14764 3/20 0.47
GABRA1 P14867 3/20 0.47
GABRB1 P18505 3/20 0.47
GABRG2 P18507 3/20 0.47
GABRB3 P28472 3/20 0.47
GABRA5 P31644 3/20 0.47
GABRA3 P34903 3/20 0.47
GABRA2 P47869 3/20 0.47
GABRB2 P47870 3/20 0.47
GABRA4 P48169 3/20 0.47
GABRE P78334 3/20 0.47
GABRA6 Q16445 3/20 0.47
GABRG1 Q8N1C3 3/20 0.47
GABRG3 Q99928 3/20 0.47
GABRQ Q9UN88 3/20 0.47
KDM4E B2RXH2 2/20 0.42
PLD2 O14939 1/20 0.40

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
SCHEMBL8947417 0.87 DAO (0.63) DAOFEN1GABRPGABRDGABRA1
SCHEMBL7230997 0.81 DAO (0.59) DAOFEN1GABRPGABRDGABRA1
SCHEMBL1519787 0.80 TP53 (0.45) DAOPLD2PLD1CYP2C19CHRM1
SCHEMBL640506 0.80 DAO (0.39) DAOLMNATSHRNFKB1CYP2C19
SCHEMBL640787 0.80 MEN1 (0.56) DAOKDM4ELMNAHPGDDRD2
SCHEMBL9382609 0.80 DAO (0.63) DAOGABRPGABRDGABRA1GABRB1
SCHEMBL9388153 0.80 HSP90AA1 (0.60) ALDH1A1HPGDTSHRNFKB1CYP2C19
SCHEMBL21464105 0.78 DAO (0.52) DAOFEN1GABRPGABRDGABRA1
SCHEMBL7616142 0.76 HTR3A (0.45) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL3991350 0.76 PIN1 (0.44) DAO

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