SCHEMBL9687154

SCHEMBL9687154

CC1CC(=O)NN=C1c1ccc2[nH]c(CCNCC(O)COc3cccc4c3CCC(O)=N4)nc2c1

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 9/20 0.35
PDE3B Q13370 5/20 0.35
PDE3A Q14432 5/20 0.35
ABCB11 O95342 1/20 0.35
MAOA P21397 1/20 0.35
ADORA2A P29274 1/20 0.35
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
MAPT P10636 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
ADRB1 P08588 1/20 0.33
GALR3 O60755 1/20 0.33

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
SCHEMBL9687171 0.95 PDE3B (0.41) GPR119PDE3BPDE3AABCB11MAOA
SCHEMBL7306521 0.88 ADRB1 (0.46) GPR119PDE3BPDE3AABCB11MAOA
SCHEMBL9687447 0.86 MAPK1 (0.41) GPR119PDE3BPDE3AADRB3MAPT
SCHEMBL7303996 0.85 CTSS (0.43) GPR119ADRB3ADRB1
SCHEMBL7305054 0.83 SLC22A1 (0.39) GPR119PDE3BPDE3AABCB11MAOA
SCHEMBL9687380 0.83 GPR119 (0.39) GPR119PDE3BPDE3AADRB3PDE4A
SCHEMBL9686104 0.83 HRH3 (0.43) PDE3BPDE3AADRB3PDE4APDE4B
SCHEMBL7304427 0.82 ADRB2 (0.43) GPR119ADRB3MAPTADRB1
SCHEMBL7304449 0.82 PDE3B (0.39) GPR119PDE3BPDE3AADRB3MAPT
SCHEMBL7304010 0.79 PDE3B (0.43) GPR119PDE3BPDE3AABCB11MAOA

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