SCHEMBL9851355

SCHEMBL9851355

Nc1c2c(nc3cc(Cl)ccc13)NCCC2

nearest known ligand 0.61

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ACHE P22303 13/20 0.61
BCHE P06276 7/20 0.61
CHRM1 P11229 1/20 0.61
EPHX2 P34913 1/20 0.61
GRIN1 Q05586 4/20 0.47
GRIN2A Q12879 4/20 0.47
UHRF1 Q96T88 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
SCHEMBL9851400 0.81 BCHE (0.63) ACHEBCHECHRM1GRIN1GRIN2A
SCHEMBL5682854 0.76 ACHE (0.94) ACHEBCHECHRM1EPHX2GRIN1
SCHEMBL4271238 0.76 ACHE (1.00) ACHEBCHECHRM1EPHX2GRIN1
Hydrochloric Acid SCHEMBL9851368 0.75 BCHE (0.61) ACHEBCHECHRM1GRIN1GRIN2A
SCHEMBL9851353 0.73 ACHE (0.62) ACHEBCHEGRIN1GRIN2A
SCHEMBL7517905 0.71 ACHE (0.50) ACHEBCHECHRM1EPHX2
SCHEMBL3562426 0.71 ACHE (0.61) ACHEBCHECHRM1GRIN1GRIN2A
Bromide SCHEMBL9851359 0.70 ACHE (0.59) ACHEBCHECHRM1GRIN1GRIN2A
SCHEMBL9851379 0.68 ACHE (0.62) ACHEBCHEGRIN1GRIN2AUHRF1
SCHEMBL31712947 0.68 UHRF1 (0.46) ACHEBCHEUHRF1

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
EP-0430485-A2 Quinoline compound UBE INDUSTRIES, LTD. (JP) 1991-06-05 EP claimed
EP-0430485-A2 Quinoline compound UBE INDUSTRIES, LTD. (JP) 1991-06-05 EP disclosed