SCHEMBL9687380

SCHEMBL9687380

CC1CC(=O)NN=C1c1cccc(OCCNCC(O)COc2cccc3c2CCC(O)=N3)c1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 5/20 0.39
GRK3 P35626 1/20 0.37
PDE4B Q07343 2/20 0.36
PDE3A Q14432 2/20 0.36
PDE4A P27815 1/20 0.36
PDE4C Q08493 1/20 0.36
PDE4D Q08499 1/20 0.36
PDE3B Q13370 1/20 0.36
ADRB3 P13945 1/20 0.36
ADRB2 P07550 3/20 0.36
ADRB1 P08588 3/20 0.36
HRH3 Q9Y5N1 3/20 0.35
HTR1A P08908 1/20 0.35
OPRK1 P41145 1/20 0.35
ATM Q13315 1/20 0.34
MAPT P10636 1/20 0.34
SMN1; SMN2 Q16637 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
SCHEMBL9686104 0.93 HRH3 (0.43) GRK3PDE4BPDE3APDE4APDE4C
SCHEMBL7300352 0.87 ADRB1 (0.51) GPR119GRK3PDE4BPDE3APDE4A
SCHEMBL7303501 0.84 ADRB1 (0.49) GPR119ADRB3ADRB2ADRB1HTR1A
SCHEMBL7329284 0.84 GPR119 (0.45) GPR119ADRB3ADRB2ADRB1HTR1A
SCHEMBL9687154 0.83 GPR119 (0.35) GPR119PDE4BPDE3APDE4APDE4C
SCHEMBL9687171 0.83 PDE3B (0.41) GPR119PDE4BPDE3APDE4APDE4C
SCHEMBL7303255 0.82 GPR119 (0.42) GPR119GRK3PDE4BPDE3APDE4A
SCHEMBL7295783 0.81 PDE3A (0.43) GPR119GRK3PDE4BPDE3APDE4A
SCHEMBL7306614 0.79 ADRB1 (0.52) GRK3PDE4BPDE3APDE4APDE4C
SCHEMBL7328370 0.76 HRH3 (0.47) ADRB3ADRB2ADRB1HRH3HTR1A

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