SCHEMBL7305054

SCHEMBL7305054

C=CCOc1ccccc1OCC(O)CNCCc1nc2cc(C3=NNC(=O)CC3C)ccc2[nH]1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
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
GPR119 Q8TDV5 8/20 0.38
PDE3B Q13370 6/20 0.38
PDE3A Q14432 6/20 0.38
ABCB11 O95342 1/20 0.37
MAOA P21397 1/20 0.37
ADORA2A P29274 1/20 0.37
PDE4A P27815 1/20 0.37
PDE4B Q07343 1/20 0.37
PDE4C Q08493 1/20 0.37
PDE4D Q08499 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
SCHEMBL7305060 0.94 PDE3B (0.43) SLC22A1LMNACYP1A2ADRB2ADRB1
SCHEMBL7304427 0.92 ADRB2 (0.43) LMNACYP1A2ADRB2ADRB1HTR1A
SCHEMBL9687447 0.89 MAPK1 (0.41) SLC22A1LMNACYP1A2ADRB2ADRB1
SCHEMBL7303996 0.88 CTSS (0.43) CYP1A2ADRB2ADRB1GPR119ADRB3
SCHEMBL7304441 0.86 ADRB2 (0.43) LMNACYP1A2ADRB2ADRB1HTR1A
SCHEMBL7306568 0.86 ADRB2 (0.39) SLC22A1LMNACYP1A2ADRB2ADRB1
SCHEMBL7304449 0.85 PDE3B (0.39) SLC22A1LMNACYP1A2ADRB2ADRB1
SCHEMBL7306521 0.84 ADRB1 (0.46) ADRB2ADRB1HTR1AGPR119PDE3B
SCHEMBL9687154 0.83 GPR119 (0.35) ADRB1GPR119PDE3BPDE3AABCB11
SCHEMBL7304010 0.82 PDE3B (0.43) CYP1A2ADRB2ADRB1GPR119PDE3B

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