SCHEMBL5338396

SCHEMBL5338396

Cc1cccc(CN(C(=O)C2C3CN(C(=O)OC(C)(C)C)CC3=CC2c2ccc(OCCO)cc2)C2CC2)c1C

nearest known ligand 0.43

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
REN P00797 14/20 0.43
CYP3A4 P08684 1/20 0.43
GPR119 Q8TDV5 4/20 0.37
PDE4B Q07343 1/20 0.34

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
SCHEMBL5334681 0.91 REN (0.42) RENCYP3A4GPR119PDE4B
SCHEMBL5338393 0.83 REN (0.45) RENCYP3A4GPR119PDE4B
SCHEMBL5941521 0.75 REN (0.48) RENCYP3A4GPR119
SCHEMBL5334678 0.74 REN (0.43) RENCYP3A4PDE4B
SCHEMBL5335485 0.74 REN (0.43) RENCYP3A4PDE4B
SCHEMBL10183732 0.72 REN (0.49) RENCYP3A4PDE4B
SCHEMBL3089000 0.71 REN (0.42) RENCYP3A4GPR119
SCHEMBL10183781 0.70 REN (0.47) RENCYP3A4PDE4B
SCHEMBL4155087 0.69 JAK2 (0.40) RENCYP3A4GPR119
SCHEMBL8259614 0.69 TACR1 (0.41) RENCYP3A4

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007049224-A1 NOVEL HEXAHYDRO- OR OCTAHYDRO-CYCLOPENTA[C]PYRROLE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2007-05-03 WO disclosed