SCHEMBL7302859

SCHEMBL7302859

CC1CC(=O)NN=C1c1ccc2oc(NCCCCNCC(O)COc3ccccc3C#N)nc2c1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 10/20 0.41
ADRB1 P08588 6/20 0.39
PDE3B Q13370 2/20 0.39
PDE3A Q14432 2/20 0.39
ADRB2 P07550 1/20 0.38
ADRB3 P13945 1/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
CYP1A2 P05177 1/20 0.38
ALOX15 P16050 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL7305172 0.99 GPR119 (0.41) GPR119ADRB1PDE3BPDE3AADRB2
SCHEMBL7295668 0.89 GPR119 (0.42) GPR119PDE3BPDE3A
SCHEMBL7295549 0.88 GPR119 (0.42) GPR119PDE3BPDE3A
SCHEMBL7303996 0.81 CTSS (0.43) GPR119ADRB1ADRB2ADRB3KDM4E
SCHEMBL7299789 0.81 ADRB1 (0.49) ADRB1ADRB2ADRB3KDM4EMEN1
SCHEMBL7304010 0.80 PDE3B (0.43) GPR119ADRB1PDE3BPDE3AADRB2
SCHEMBL7303501 0.79 ADRB1 (0.49) GPR119ADRB1ADRB2ADRB3KDM4E
SCHEMBL11356530 0.76 GPR119 (0.49) GPR119PDE3BPDE3A
SCHEMBL7293509 0.76 GPR119 (0.52) GPR119PDE3BPDE3A
SCHEMBL11094614 0.76 GPR119 (0.50) 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