SCHEMBL7333989

SCHEMBL7333989

C1=CNC2=Nc3ccccc3CNC2=C1

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 1/20 0.32
NOS1 P29475 1/20 0.32
NOS2 P35228 1/20 0.32

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
SCHEMBL7517539 0.69 NISCH (0.41) NOS3NOS1NOS2
SCHEMBL3251613 0.69 NOS3 (0.39) NOS3NOS1NOS2
SCHEMBL28002189 0.67 MAPT (0.41) NOS3NOS1NOS2
SCHEMBL28002164 0.66 NPC1 (0.47) NOS3NOS1NOS2
SCHEMBL3258377 0.65 NOS3 (0.39) NOS3NOS1NOS2
SCHEMBL17871058 0.65 NOS3 (0.39) NOS3NOS1NOS2
SCHEMBL19675172 0.65 NOS3 (0.39) NOS3NOS1NOS2
SCHEMBL1398128 0.65 NOS3 (0.39) NOS3NOS1NOS2
SCHEMBL27833943 0.65 NOS3 (0.39) NOS3NOS1NOS2
SCHEMBL28759647 0.65 NOS3 (0.39) NOS3NOS1NOS2

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
WO-1996022282-A1 TRICYCLIC BENZAZEPINE VASOPRESSIN ANTAGONISTS AMERICAN CYANAMID COMPANY (US) 1996-07-25 WO disclosed