SCHEMBL7306541

SCHEMBL7306541

CC1CC(=O)NN=C1c1ccc2oc(NCCCN)nc2c1

nearest known ligand 0.53

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 17/20 0.53
PDE3B Q13370 2/20 0.47
PDE3A Q14432 2/20 0.47

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
SCHEMBL7293509 0.97 GPR119 (0.52) GPR119PDE3BPDE3A
SCHEMBL11094614 0.91 GPR119 (0.50) GPR119PDE3BPDE3A
SCHEMBL11356530 0.90 GPR119 (0.49) GPR119PDE3BPDE3A
SCHEMBL11368434 0.89 GPR119 (0.50) GPR119PDE3BPDE3A
SCHEMBL11095811 0.87 GPR119 (0.53) GPR119PDE3BPDE3A
SCHEMBL11358817 0.84 GPR119 (0.56) GPR119PDE3BPDE3A
SCHEMBL11097177 0.81 GPR119 (0.53) GPR119PDE3BPDE3A
SCHEMBL11378567 0.81 PDE3B (0.57) GPR119PDE3BPDE3A
SCHEMBL11098464 0.79 GPR119 (0.59) GPR119PDE3BPDE3A
SCHEMBL11360566 0.79 GPR119 (0.58) GPR119PDE3BPDE3A

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