SCHEMBL9687757

SCHEMBL9687757

Cc1ccoc1Cc1ccnc(N)c1N

nearest known ligand 0.47

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 5/20 0.47
NOS3 P29474 4/20 0.47
NOS1 P29475 1/20 0.35

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
SCHEMBL9687039 0.82 NOS2 (0.44) NOS2NOS3NOS1
SCHEMBL4987971 0.76 NOS2 (0.42) NOS2NOS3NOS1
SCHEMBL9686513 0.72 NOS2 (0.41) NOS2NOS3NOS1
SCHEMBL9536189 0.71 NOS2 (0.47) NOS2NOS3NOS1
SCHEMBL22068695 0.71 NOS2 (0.47) NOS2NOS3NOS1
SCHEMBL9686545 0.71 MAPT (0.49) NOS2NOS3NOS1
SCHEMBL9387184 0.70 GAA (0.40) NOS2NOS3
SCHEMBL4986132 0.70 NOS2 (0.42) NOS2NOS3NOS1
SCHEMBL3264472 0.69 NOS2 (0.52) NOS2NOS3NOS1
SCHEMBL25256924 0.69 NOS2 (0.41) NOS2NOS3NOS1

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-0295742-B1 NOVEL N-(4-PIPERIDINYL) BICYCLIC CONDENSED 2-IMIDAZOLAMINE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 1992-08-26 EP disclosed
EP-0295742-A1 Novel N-(4-piperidinyl) bicyclic condensed 2-imidazolamine derivatives JANSSEN PHARMACEUTICA N.V. (BE) 1988-12-21 EP disclosed