SCHEMBL7299013

SCHEMBL7299013

O=C1CCC(c2ccc3[nH]c(CCNC(O)C(O)Cc4cccc5ccccc45)nc3c2)=NN1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 1/20 0.37
GPR119 Q8TDV5 3/20 0.35
SMN1; SMN2 Q16637 1/20 0.33
EGFR P00533 1/20 0.33
ERBB2 P04626 1/20 0.33
HTT P42858 3/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
PDE4A P27815 1/20 0.32
PDE4B Q07343 1/20 0.32
PDE4C Q08493 1/20 0.32
PDE4D Q08499 1/20 0.32
PDE3B Q13370 1/20 0.32
PDE3A Q14432 1/20 0.32
KDM4E B2RXH2 1/20 0.31
MAPT P10636 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31

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
SCHEMBL7295525 0.85 PDE3B (0.40) GPR119SMN1; SMN2PDE4APDE4BPDE4C
Hydrochloric Acid SCHEMBL7331760 0.83 SMN1; SMN2 (0.40) GPR119SMN1; SMN2KMT2APDE3BPDE3A
SCHEMBL9687223 0.81 PIK3CA (0.34) GPR119EGFRERBB2HTTMEN1
SCHEMBL7304445 0.80 PDE3B (0.39) GPR119SMN1; SMN2PDE3BPDE3AMAPT
SCHEMBL9687213 0.78 MAPK1 (0.44) SMN1; SMN2HTTMEN1KMT2AMAPT
Hydrochloric Acid SCHEMBL9686815 0.76 PDE3B (0.41) SMN1; SMN2MEN1KMT2APDE3BKDM4E
SCHEMBL7293305 0.72 PDE3B (0.44) GPR119SMN1; SMN2PDE4APDE4BPDE4C
SCHEMBL9877849 0.70 PDE3B (0.43) GPR119SMN1; SMN2PDE4APDE4BPDE4C
SCHEMBL7306568 0.69 ADRB2 (0.39) GPR119KMT2APDE4APDE4BPDE4C
SCHEMBL7303647 0.69 CTSS (0.45) MEN1KMT2AKDM4E

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