SCHEMBL9309020

SCHEMBL9309020

O=C1CCc2ccccc2N1Cc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.69
MEN1 O00255 3/20 0.58
KMT2A Q03164 3/20 0.58
GRIN1 Q05586 1/20 0.54
GRIN2B Q13224 1/20 0.54
DRD2 P14416 4/20 0.53
DRD4 P21917 3/20 0.53
DRD3 P35462 3/20 0.53
GFER P55789 1/20 0.51
MAPT P10636 3/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
CYP1A2 P05177 2/20 0.50
CYP2C9 P11712 2/20 0.50
CYP2C19 P33261 2/20 0.50
GAA P10253 1/20 0.50
CHRM2 P08172 1/20 0.49
CHRM4 P08173 1/20 0.49
CHRM5 P08912 1/20 0.49
CHRM1 P11229 1/20 0.49
CHRM3 P20309 1/20 0.49

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
SCHEMBL27377022 0.84 POLB (0.62) POLBMEN1KMT2AGRIN1GRIN2B
SCHEMBL29880432 0.82 POLB (1.00) POLBMEN1KMT2ADRD2DRD4
SCHEMBL10688767 0.82 POLB (1.00) POLBMEN1KMT2ADRD2DRD4
SCHEMBL8886383 0.80 ALDH1A1 (0.53) POLBMEN1KMT2ADRD2DRD4
SCHEMBL31667178 0.80 POLB (0.77) POLBMEN1KMT2ADRD2DRD4
SCHEMBL9308870 0.80 POLB (0.77) POLBMEN1KMT2ADRD2DRD4
SCHEMBL9308514 0.80 POLB (0.77) POLBMEN1KMT2ADRD2DRD4
SCHEMBL27377403 0.80 KMT2A (0.52) POLBMEN1KMT2AGRIN1GRIN2B
SCHEMBL8553880 0.79 L3MBTL1 (0.64) POLBMEN1KMT2ADRD4GFER
SCHEMBL11358481 0.78 MAPT (0.55) MEN1KMT2ADRD2MAPTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5371226-A Hypotensive agents MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1994-12-06 US disclosed
EP-0561252-A1 2-Oxoquinoline derivatives as angiotensin II antagonists MERCK PATENT GmbH (DE) 1993-09-22 EP disclosed