SCHEMBL10569366

SCHEMBL10569366

Nc1ccc2c(c1)C1=NNC(=O)CC1CCS2

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.38
KCNH2 Q12809 1/20 0.38
PDE3A Q14432 9/20 0.36
PDE3B Q13370 8/20 0.36
MAPT P10636 2/20 0.33
GALR3 O60755 1/20 0.33
THRB P10828 1/20 0.33
PBRM1 Q86U86 1/20 0.33
PDE4A P27815 2/20 0.31
PDE4B Q07343 2/20 0.31
PDE4C Q08493 2/20 0.31
PDE4D Q08499 2/20 0.31
DDB1 Q16531 1/20 0.31
CRBN Q96SW2 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
GPR119 Q8TDV5 2/20 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
SCHEMBL10571135 0.85 PDE3A (0.38) HRH3KCNH2PDE3APDE3BMAPT
SCHEMBL7289484 0.83 GPR119 (0.38) HRH3KCNH2PDE3APDE3BMAPT
SCHEMBL7298104 0.82 PDE3A (0.42) HRH3KCNH2PDE3APDE3BPBRM1
SCHEMBL10585131 0.81 GALR3 (0.39) HRH3KCNH2PDE3APDE3BMAPT
SCHEMBL7294824 0.78 PDE3B (0.50) PDE3APDE3BMAPTDDB1CRBN
SCHEMBL9602068 0.75 HRH3 (0.57) HRH3KCNH2PDE3APDE3BMAPT
Hydrochloric Acid SCHEMBL7314082 0.74 HRH3 (0.56) HRH3KCNH2PDE3APDE3BMAPT
SCHEMBL10341487 0.73 PDE3B (0.57) HRH3KCNH2PDE3APDE3BMAPT
SCHEMBL7297883 0.73 PBRM1 (0.40) HRH3KCNH2PDE3APDE3BPBRM1
SCHEMBL7290530 0.72 PDE4A (0.38) MAPTPDE4APDE4BPDE4CPDE4D

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-4849421-A SIDE EFFECT REDUCTION YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1989-07-18 US disclosed