SCHEMBL9687171

SCHEMBL9687171

CC1CC(=O)NN=C1c1ccc2nc(CCNCC(O)COc3cccc4c3CCC(O)=N4)[nH]c2c1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 4/20 0.41
PDE3A Q14432 4/20 0.41
ABCB11 O95342 1/20 0.41
MAOA P21397 1/20 0.41
ADORA2A P29274 1/20 0.41
F10 P00742 1/20 0.38
GPR119 Q8TDV5 13/20 0.37
ADRB3 P13945 2/20 0.35
PDE4A P27815 1/20 0.34
PDE4B Q07343 1/20 0.34
PDE4C Q08493 1/20 0.34
PDE4D Q08499 1/20 0.34

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
SCHEMBL9687154 0.95 GPR119 (0.35) PDE3BPDE3AABCB11MAOAADORA2A
SCHEMBL7304010 0.85 PDE3B (0.43) PDE3BPDE3AABCB11MAOAADORA2A
SCHEMBL7305060 0.83 PDE3B (0.43) PDE3BPDE3AABCB11MAOAADORA2A
SCHEMBL9687380 0.83 GPR119 (0.39) PDE3BPDE3AGPR119ADRB3PDE4A
SCHEMBL9686104 0.83 HRH3 (0.43) PDE3BPDE3AADRB3PDE4APDE4B
SCHEMBL7306521 0.83 ADRB1 (0.46) PDE3BPDE3AABCB11MAOAADORA2A
SCHEMBL7304441 0.82 ADRB2 (0.43) PDE3BPDE3AABCB11MAOAADORA2A
SCHEMBL9687447 0.80 MAPK1 (0.41) PDE3BPDE3AGPR119ADRB3
SCHEMBL7303996 0.79 CTSS (0.43) GPR119ADRB3
SCHEMBL7297393 0.78 PDE3B (0.47) PDE3BPDE3AABCB11MAOAADORA2A

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-5135932-A 2-HYDROXYPROPYLAMINO-ALKYL-BENZIMIDAZOLY-5-YL DERIVATIVES AND THEIR USE IN THE TREATMENT OF HEART DISEASE DR. KARL THOMAE GMBH (DE) 1992-08-04 US disclosed