SCHEMBL9687447

SCHEMBL9687447

CC1CC(=O)NN=C1c1ccc2[nH]c(CCNCC(O)COc3cccc4ccccc34)nc2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
HTT P42858 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
PDE3B Q13370 2/20 0.40
PDE3A Q14432 2/20 0.40
ADRB2 P07550 8/20 0.40
GPR119 Q8TDV5 1/20 0.39
ADRB1 P08588 5/20 0.39
CYP1A2 P05177 3/20 0.38
CYP2D6 P10635 3/20 0.38
SLC6A4 P31645 3/20 0.38
HTR2B P41595 3/20 0.38
SIGMAR1 Q99720 3/20 0.38
NR2E1 Q9Y466 3/20 0.38
ADRB3 P13945 3/20 0.38
ALDH1A1 P00352 2/20 0.38
HTR2A P28223 2/20 0.38

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
SCHEMBL7304449 0.96 PDE3B (0.39) MAPK1SMN1; SMN2GAAMAPTHTT
SCHEMBL7305054 0.89 SLC22A1 (0.39) SMN1; SMN2MAPTPDE3BPDE3AADRB2
SCHEMBL7303996 0.89 CTSS (0.43) ADRB2GPR119ADRB1CYP1A2ADRB3
SCHEMBL7304427 0.88 ADRB2 (0.43) MAPTADRB2GPR119ADRB1CYP1A2
SCHEMBL7306521 0.87 ADRB1 (0.46) PDE3BPDE3AADRB2GPR119ADRB1
SCHEMBL9687154 0.86 GPR119 (0.35) SMN1; SMN2MAPTPDE3BPDE3AGPR119
SCHEMBL9687213 0.85 MAPK1 (0.44) MAPK1SMN1; SMN2GAAMAPTHTT
SCHEMBL7305060 0.83 PDE3B (0.43) SMN1; SMN2MAPTPDE3BPDE3AADRB2
SCHEMBL7304010 0.83 PDE3B (0.43) PDE3BPDE3AADRB2GPR119ADRB1
SCHEMBL7329284 0.82 GPR119 (0.45) MAPK1SMN1; SMN2GAAMAPTHTT

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