SCHEMBL11684251

SCHEMBL11684251

O=[N+]([O-])c1ccc2c(c1)C(c1ccccc1F)=NCCN2

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 3/20 0.53
GABRA5 P31644 3/20 0.53
GABRA3 P34903 3/20 0.53
GABRA2 P47869 3/20 0.53
GABRB2 P47870 3/20 0.53
GABRG2 P18507 2/20 0.53
GABRB3 P28472 2/20 0.53
CCKBR P32239 1/20 0.53
OPRK1 P41145 1/20 0.53
MC3R P41968 1/20 0.53
GHSR Q92847 1/20 0.53
GABRP O00591 1/20 0.52
GABRD O14764 1/20 0.52
GABRB1 P18505 1/20 0.52
ADRA1A P35348 1/20 0.52
GABRA4 P48169 1/20 0.52
GABRE P78334 1/20 0.52
GABRA6 Q16445 1/20 0.52
GABRG1 Q8N1C3 1/20 0.52
GABRG3 Q99928 1/20 0.52

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
SCHEMBL11757670 0.87 GABRA1 (0.53) GABRA1GABRA5GABRA3GABRA2GABRB2
SCHEMBL4564319 0.87 GABRP (0.68) GABRA1GABRA5GABRA3GABRA2GABRB2
SCHEMBL29575850 0.87 GABRP (0.68) GABRA1GABRA5GABRA3GABRA2GABRB2
SCHEMBL11683712 0.86 GABRA1 (0.52) GABRA1GABRA5GABRA3GABRA2GABRB2
SCHEMBL11460474 0.84 LMNA (0.65) GABRA1GABRA5GABRA3GABRA2GABRB2
SCHEMBL11479334 0.81 NISCH (0.53) GABRA1GABRA5GABRA3GABRA2GABRB2
SCHEMBL7308583 0.80 GABRA1 (0.76) GABRA1GABRA5GABRA3GABRA2GABRB2
SCHEMBL7376244 0.79 CHRM1 (0.73) GABRA1GABRA5GABRA3GABRA2GABRB2
SCHEMBL11035945 0.79 NISCH (0.60) GABRA1GABRA5GABRA3GABRA2GABRB2
SCHEMBL31150913 0.79 CHRM1 (0.62) GABRA1GABRA5GABRA3GABRA2GABRB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4044003-A Process for preparing 1,4-benzodiazepines SUMITOMO CHEMICAL COMPANY, LIMITED (JA) 1977-08-23 US disclosed