SCHEMBL7305060

SCHEMBL7305060

C=CCOc1ccccc1OCC(O)CNCCc1nc2ccc(C3=NNC(=O)CC3C)cc2[nH]1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 5/20 0.43
PDE3A Q14432 5/20 0.43
ABCB11 O95342 1/20 0.43
MAOA P21397 1/20 0.43
ADORA2A P29274 1/20 0.43
F10 P00742 1/20 0.40
GPR119 Q8TDV5 10/20 0.40
SLC22A1 O15245 1/20 0.39
LMNA P02545 1/20 0.39
CYP1A2 P05177 1/20 0.39
ADRB2 P07550 1/20 0.39
ADRB1 P08588 1/20 0.39
HTR1A P08908 1/20 0.39
CYP2D6 P10635 1/20 0.39
HTR2A P28223 1/20 0.39
SLC6A4 P31645 1/20 0.39
ADRA1A P35348 1/20 0.39
PDE4A P27815 1/20 0.37
PDE4B Q07343 1/20 0.37
PDE4C Q08493 1/20 0.37

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
SCHEMBL7305054 0.94 SLC22A1 (0.39) PDE3BPDE3AABCB11MAOAADORA2A
SCHEMBL7304441 0.92 ADRB2 (0.43) PDE3BPDE3AABCB11MAOAADORA2A
SCHEMBL7304010 0.88 PDE3B (0.43) PDE3BPDE3AABCB11MAOAADORA2A
SCHEMBL7304427 0.86 ADRB2 (0.43) GPR119LMNACYP1A2ADRB2ADRB1
SCHEMBL7306574 0.86 ADRB2 (0.39) PDE3BPDE3AABCB11GPR119SLC22A1
SCHEMBL9687171 0.83 PDE3B (0.41) PDE3BPDE3AABCB11MAOAADORA2A
SCHEMBL9687447 0.83 MAPK1 (0.41) PDE3BPDE3AGPR119SLC22A1LMNA
SCHEMBL7303996 0.82 CTSS (0.43) GPR119CYP1A2ADRB2ADRB1
SCHEMBL7305182 0.82 HRH3 (0.46) PDE3BPDE3AGPR119SLC22A1LMNA
SCHEMBL7303255 0.81 GPR119 (0.42) PDE3BPDE3AABCB11GPR119SLC22A1

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 2 patents. 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
EP-0400519-A1 2-Hydroxy-n-propylamines, medicaments containing these compounds and method for preparing them Dr. Karl Thomae GmbH (DE) 1990-12-05 EP disclosed