SCHEMBL9536334

SCHEMBL9536334

NCC1=CC=Cc2ccccc2N1

nearest known ligand 0.48

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.48
MAPT P10636 1/20 0.48

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
SCHEMBL8781958 0.81 MAPT (0.48) GAAMAPT
SCHEMBL8334125 0.81 MAPT (0.48) GAAMAPT
SCHEMBL9935465 0.81 MAPT (0.48) GAAMAPT
SCHEMBL11298721 0.77 GAA (0.44) GAAMAPT
SCHEMBL27287397 0.77 MAPT (0.44) GAAMAPT
SCHEMBL4714931 0.76 MAPT (0.42) GAAMAPT
SCHEMBL4770305 0.76 GAA (0.47) GAAMAPT
SCHEMBL1246857 0.75 GAA (0.46) GAAMAPT
SCHEMBL27316259 0.75 MAPT (0.41) GAAMAPT
SCHEMBL29605097 0.75 MAPT (0.54) GAAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0384677-B1 Alpha-adrenergic receptor antagonists SMITHKLINE BEECHAM CORP (US) 1993-12-01 EP disclosed
EP-0384676-B1 Alpha-adrenergic receptor antagonists SMITHKLINE BEECHAM CORP (US) 1993-11-10 EP disclosed
US-4981848-A CARDIOVASCULAR, HYPOTENSIVE, ANTIDEPRESSANT SMITHKLINE BEECHAM CORPORATION (US) 1991-01-01 US disclosed
US-4981849-A OBESITY, DIABETES, CARDIOVASCULAR DISORDERS, DEPRESSION SMITHKLINE BEECHAM CORPORATION (US) 1991-01-01 US disclosed
EP-0384677-A1 Alpha-adrenergic receptor antagonists SMITHKLINE BEECHAM CORPORATION (US) 1990-08-29 EP disclosed
EP-0384676-A1 Alpha-adrenergic receptor antagonists SMITHKLINE BEECHAM CORPORATION (US) 1990-08-29 EP disclosed