SCHEMBL4870940

SCHEMBL4870940

CC(C)(CCCN1CCOCC1)CN1CCOCC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.48
KEAP1 Q14145 1/20 0.48
SIGMAR1 Q99720 3/20 0.45
CYP2D6 P10635 2/20 0.44
CYP1A2 P05177 2/20 0.44
CYP3A4 P08684 1/20 0.41
HPGD P15428 1/20 0.41
DUSP3 P51452 1/20 0.41
ALDH1A1 P00352 4/20 0.40
MAPK1 P28482 2/20 0.40
CHRM2 P08172 1/20 0.40
CHRM1 P11229 1/20 0.40
HTR2A P28223 1/20 0.40
SCN1A P35498 1/20 0.40
HTR2B P41595 1/20 0.40
KCNH2 Q12809 1/20 0.40
SCN2A Q99250 1/20 0.40
SCN3A Q9NY46 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40
MEN1 O00255 1/20 0.40

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
SCHEMBL25795138 0.93 SMN1; SMN2 (0.43) SMN1; SMN2KEAP1SIGMAR1CYP2D6CYP1A2
SCHEMBL18410958 0.85 SMN1; SMN2 (0.48) SMN1; SMN2KEAP1SIGMAR1CYP2D6CYP1A2
SCHEMBL19506954 0.85 ALDH1A1 (0.40) SMN1; SMN2KEAP1SIGMAR1CYP2D6CYP1A2
SCHEMBL19888347 0.83 SMN1; SMN2 (0.47) SMN1; SMN2KEAP1SIGMAR1CYP2D6CYP1A2
SCHEMBL21015244 0.82 SMN1; SMN2 (0.50) SMN1; SMN2KEAP1SIGMAR1CYP2D6CYP1A2
SCHEMBL8282663 0.82 SMN1; SMN2 (0.54) SMN1; SMN2KEAP1SIGMAR1CYP2D6CYP1A2
SCHEMBL19506630 0.81 CNR1 (0.41) SMN1; SMN2SIGMAR1CYP1A2ALDH1A1MAPK1
SCHEMBL19261397 0.81 CNR1 (0.41) SMN1; SMN2SIGMAR1CYP1A2ALDH1A1MAPK1
SCHEMBL19633992 0.80 ALDH1A1 (0.38) SMN1; SMN2KEAP1SIGMAR1CYP2D6CYP1A2
SCHEMBL23471274 0.79 SMN1; SMN2 (0.47) SMN1; SMN2KEAP1SIGMAR1CYP2D6CYP1A2

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-7320992-B2 Substituted 2,3-dihydro-1h-isoindol-1-one derivatives and methods of use AMGEN INC. (US) 2008-01-22 US claimed
EP-1971604-B1 PYRROLO-PYRIDINE DERIVATIVES FOR THE TREATMENT OF CANCER DISEASES AMGEN INC (US) 2012-08-01 EP disclosed