SCHEMBL8968355

SCHEMBL8968355

NC1c2cc(F)ccc2N=C2CCCCCN21

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 2/20 0.42
NOS1 P29475 2/20 0.42
NOS2 P35228 2/20 0.42
ACHE P22303 11/20 0.36
ALDH1A1 P00352 2/20 0.33
GAA P10253 1/20 0.33
HTT P42858 1/20 0.33
KDM1A O60341 2/20 0.33
KDM1B Q8NB78 1/20 0.33
KDM4E B2RXH2 1/20 0.32
HPGD P15428 1/20 0.32
HSD17B10 Q99714 1/20 0.32
BCHE P06276 1/20 0.32
GRIN1 Q05586 1/20 0.32
GRIN2A Q12879 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
SCHEMBL8970334 0.89 NOS3 (0.42) NOS3NOS1NOS2ACHEALDH1A1
SCHEMBL9379110 0.76 ACHE (0.39) NOS3NOS1NOS2ACHEALDH1A1
SCHEMBL8969626 0.73 NOS3 (0.42) NOS3NOS1NOS2ACHEKDM1A
SCHEMBL9381689 0.70 ACHE (0.48) NOS3NOS1NOS2ACHEALDH1A1
SCHEMBL8969488 0.68 ACHE (0.70) ACHEALDH1A1GAAHTTBCHE
SCHEMBL9380278 0.68 ACHE (0.40) NOS3NOS1NOS2ACHE
SCHEMBL9380049 0.68 ACHE (0.51) ACHE
SCHEMBL9380285 0.66 ACHE (0.47) NOS3NOS1NOS2ACHEALDH1A1
SCHEMBL9380862 0.66 ACHE (0.47) NOS1ACHEALDH1A1BCHE
SCHEMBL8968485 0.66 ACHE (0.68) ACHEALDH1A1GAAHTTBCHE

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
US-5486512-A LEARNING ENHANCEMENT WARNER-LAMBERT COMPANY (US) 1996-01-23 US disclosed