SCHEMBL21229670

SCHEMBL21229670

CC1CCN2CCCC2=N1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
INMT O95050 2/20 0.41
USP2 O75604 2/20 0.41
NOS3 P29474 3/20 0.38
NOS1 P29475 3/20 0.38
NOS2 P35228 3/20 0.38
CHRM3 P20309 6/20 0.32
PDE4A P27815 4/20 0.32
PDE4B Q07343 4/20 0.32
PDE4C Q08493 4/20 0.32
PDE4D Q08499 4/20 0.32
MEN1 O00255 1/20 0.31
HTT P42858 1/20 0.31
RECQL P46063 1/20 0.31
KMT2A Q03164 1/20 0.31
ATM Q13315 1/20 0.31
BCHE P06276 1/20 0.30
ACHE P22303 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
SCHEMBL14777372 0.94 INMT (0.48) INMTUSP2NOS3NOS1NOS2
SCHEMBL11047793 0.81
SCHEMBL10707140 0.78 INMT (0.44) INMTUSP2NOS3NOS1NOS2
SCHEMBL21230014 0.68 CHRM3 (0.33) NOS3NOS1NOS2CHRM3PDE4A
SCHEMBL809711 0.67 NOS1 (0.46) USP2NOS3NOS1NOS2MEN1
SCHEMBL21185083 0.67 CHRM3 (0.35) USP2NOS3NOS1NOS2CHRM3
SCHEMBL810150 0.67 BCHE (0.31) INMTUSP2MEN1KMT2ABCHE
SCHEMBL18403048 0.67 INMT (0.38) INMTUSP2CHRM3MEN1KMT2A
SCHEMBL809783 0.66 USP2 (0.32) INMTUSP2
SCHEMBL23865894 0.63 CHRM3 (0.35) NOS3NOS1NOS2CHRM3PDE4A

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
US-10696879-B2 Adhesive dual-component composition based on polyurethane BOSTIK SA (FR) 2020-06-30 US disclosed
US-20190241779-A1 ADHESIVE DUAL-COMPONENT COMPOSITION BASED ON POLYURETHANE BOSTIK SA (FR) 2019-08-08 US disclosed