SCHEMBL9686104

SCHEMBL9686104

CC1CC(=O)NN=C1c1ccc(OCCNCC(O)COc2cccc3c2CCC(O)=N3)cc1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 5/20 0.43
ADRB3 P13945 2/20 0.38
MAPT P10636 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
PDE3B Q13370 7/20 0.37
PDE3A Q14432 7/20 0.37
ATM Q13315 1/20 0.37
GRK3 P35626 1/20 0.37
PDE4A P27815 3/20 0.36
PDE4B Q07343 3/20 0.36
PDE4C Q08493 3/20 0.36
PDE4D Q08499 3/20 0.36
ADRB2 P07550 2/20 0.36
ADRB1 P08588 2/20 0.36
HTR1A P08908 1/20 0.36
OPRK1 P41145 1/20 0.36
CYP1A2 P05177 1/20 0.36
KCNH2 Q12809 1/20 0.36

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
SCHEMBL9687380 0.93 GPR119 (0.39) HRH3ADRB3MAPTSMN1; SMN2PDE3B
SCHEMBL7306614 0.87 ADRB1 (0.52) HRH3ADRB3MAPTSMN1; SMN2PDE3B
SCHEMBL7328370 0.83 HRH3 (0.47) HRH3ADRB3MAPTSMN1; SMN2ATM
SCHEMBL9687171 0.83 PDE3B (0.41) ADRB3PDE3BPDE3APDE4APDE4B
SCHEMBL9687154 0.83 GPR119 (0.35) ADRB3MAPTSMN1; SMN2PDE3BPDE3A
SCHEMBL7299789 0.82 ADRB1 (0.49) HRH3ADRB3ADRB2ADRB1HTR1A
SCHEMBL7305182 0.81 HRH3 (0.46) HRH3ADRB3MAPTSMN1; SMN2PDE3B
SCHEMBL7335463 0.80 HRH3 (0.54) HRH3ADRB3MAPTSMN1; SMN2PDE3B
SCHEMBL7300352 0.79 ADRB1 (0.51) HRH3ADRB3PDE3BPDE3AGRK3
SCHEMBL7304714 0.78 HRH3 (0.46) HRH3ADRB3MAPTSMN1; SMN2PDE3B

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