SCHEMBL7304445

SCHEMBL7304445

CC1CC(=O)NN=C1c1ccc2[nH]c(CCCNC(O)C(O)Cc3cccc4ccccc34)nc2c1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 6/20 0.39
PDE3A Q14432 6/20 0.39
GPR119 Q8TDV5 9/20 0.37
ABCB11 O95342 1/20 0.36
MAOA P21397 1/20 0.36
ADORA2A P29274 1/20 0.36
GALR3 O60755 1/20 0.36
MAPT P10636 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
F10 P00742 1/20 0.35
BRD4 O60885 1/20 0.35

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 0.96 PDE3B (0.40) PDE3BPDE3AGPR119ABCB11MAOA
SCHEMBL7295544 0.81 GPR119 (0.41) PDE3BPDE3AGPR119
SCHEMBL7295661 0.81 GPR119 (0.41) PDE3BPDE3AGPR119
SCHEMBL7299013 0.80 DYRK1A (0.37) PDE3BPDE3AGPR119MAPTSMN1; SMN2
SCHEMBL7304449 0.80 PDE3B (0.39) PDE3BPDE3AGPR119MAPTSMN1; SMN2
SCHEMBL7329278 0.79 GPR119 (0.45) PDE3BPDE3AGPR119
SCHEMBL7328362 0.79 HRH3 (0.47) PDE3BPDE3AGPR119MAPTSMN1; SMN2
SCHEMBL10424705 0.77 PDE3B (0.44) PDE3BPDE3AGPR119ABCB11MAOA
SCHEMBL9877075 0.77 PDE3B (0.49) PDE3BPDE3AGPR119ABCB11MAOA
SCHEMBL9687447 0.76 MAPK1 (0.41) PDE3BPDE3AGPR119MAPTSMN1; SMN2

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