SCHEMBL9686463

SCHEMBL9686463

CC(C)c1ccc(Cc2ccnc(N)c2N)o1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 3/20 0.37
NOS2 P35228 3/20 0.37
TLR8 Q9NR97 2/20 0.33
ALDH1A1 P00352 1/20 0.31
POLB P06746 1/20 0.31
MAPT P10636 1/20 0.31
THRB P10828 1/20 0.31
HTT P42858 1/20 0.31
RECQL P46063 1/20 0.31
HSD17B10 Q99714 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
ADORA2A P29274 1/20 0.30
ADORA1 P30542 1/20 0.30

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
SCHEMBL9686545 0.81 MAPT (0.49) NOS3NOS2TLR8ALDH1A1POLB
SCHEMBL9687045 0.81 NOS2 (0.39) NOS3NOS2TLR8ALDH1A1POLB
SCHEMBL4986132 0.74 NOS2 (0.42) NOS3NOS2TLR8ALDH1A1POLB
SCHEMBL9387184 0.71 GAA (0.40) NOS3NOS2ALDH1A1POLBTDP1
SCHEMBL9686513 0.70 NOS2 (0.41) NOS3NOS2TLR8
SCHEMBL4987971 0.68 NOS2 (0.42) NOS3NOS2TLR8
SCHEMBL3264472 0.67 NOS2 (0.52) NOS3NOS2TLR8
SCHEMBL9687039 0.67 NOS2 (0.44) NOS3NOS2
SCHEMBL9536189 0.66 NOS2 (0.47) NOS3NOS2ALDH1A1
SCHEMBL9687757 0.66 NOS2 (0.47) NOS3NOS2

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 3 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
US-5006527-A Antihistamines, antiallergens JANSSEN PHARMACEUTICA N.V. (BE) 1991-04-09 US disclosed
EP-0295742-A1 Novel N-(4-piperidinyl) bicyclic condensed 2-imidazolamine derivatives JANSSEN PHARMACEUTICA N.V. (BE) 1988-12-21 EP disclosed