SCHEMBL8798987

SCHEMBL8798987

C1CN(c2nc(NC3CC3)nc(C3CC3)n2)CCS1

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 15/20 0.60
PDE4B Q07343 15/20 0.60
PDE4C Q08493 15/20 0.60
PDE4D Q08499 15/20 0.60
CHRM3 P20309 13/20 0.54
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
CHRM2 P08172 1/20 0.38
CHRM4 P08173 1/20 0.38
CHRM5 P08912 1/20 0.38
CHRM1 P11229 1/20 0.38
CTSL P07711 1/20 0.38
CTSB P07858 1/20 0.38
CTSS P25774 1/20 0.38
CTSK P43235 1/20 0.38
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
ATM Q13315 1/20 0.37

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
SCHEMBL8798834 0.94 PDE4A (0.54) PDE4APDE4BPDE4CPDE4DCHRM3
SCHEMBL8801127 0.92 PDE4A (0.57) PDE4APDE4BPDE4CPDE4DCHRM3
SCHEMBL8799404 0.83 PDE4A (0.44) PDE4APDE4BPDE4CPDE4DCHRM3
SCHEMBL8798313 0.82 PDE4A (0.43) PDE4APDE4BPDE4CPDE4DCHRM3
SCHEMBL236171 0.82 PDE4A (0.60) PDE4APDE4BPDE4CPDE4DCHRM3
SCHEMBL8320258 0.80 PDE4A (0.85) PDE4APDE4BPDE4CPDE4DCHRM3
SCHEMBL8797851 0.78 PDE4A (0.42) PDE4APDE4BPDE4CPDE4DCHRM3
SCHEMBL8799489 0.77 PDE4A (0.54) PDE4APDE4BPDE4CPDE4DCHRM3
SCHEMBL8471230 0.75 PDE4A (1.00) PDE4APDE4BPDE4CPDE4DCHRM3
Hydrochloric Acid SCHEMBL9425430 0.74 PDE4A (0.75) PDE4APDE4BPDE4CPDE4DCHRM3

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0527117-B1 Substituted cyclopropylamino-1,3,5-triazines UCB SA (BE) 1997-10-29 EP claimed
US-5348956-A Antiinflammatory and antiasthmatic agents UCB S.A. (BE) 1994-09-20 US claimed
US-5258513-A FOR TREATMENT OF ALZHEIMER'S DISEASE, SENILE DEMENTIA, EVOLUTIVE COGNITIVE PATHOLOGIES, DEPRESSION, ANXIETY, MOOD DISTURBANCES, INFLAMMATION AND ASTHMA UCB S.A. (BE) 1993-11-02 US claimed
EP-0527117-A1 Substituted cyclopropylamino-1,3,5-triazines U C B, S.A. (BE) 1993-02-10 EP claimed
EP-0527117-B1 Substituted cyclopropylamino-1,3,5-triazines UCB SA (BE) 1997-10-29 EP disclosed
US-5348956-A Antiinflammatory and antiasthmatic agents UCB S.A. (BE) 1994-09-20 US disclosed
US-5258513-A FOR TREATMENT OF ALZHEIMER'S DISEASE, SENILE DEMENTIA, EVOLUTIVE COGNITIVE PATHOLOGIES, DEPRESSION, ANXIETY, MOOD DISTURBANCES, INFLAMMATION AND ASTHMA UCB S.A. (BE) 1993-11-02 US disclosed
EP-0527117-A1 Substituted cyclopropylamino-1,3,5-triazines U C B, S.A. (BE) 1993-02-10 EP disclosed