SCHEMBL3518152

SCHEMBL3518152

O=C(O)n1cccc1-c1ccc2c(c1)C1(CCCCC1)C(=O)N2.O=C1Nc2ccc(-c3ccc([N+](=O)[O-])[nH]3)cc2C12CCCCC2

nearest known ligand 0.72

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PGR P06401 16/20 0.72
PDE4A P27815 4/20 0.37
PDE4B Q07343 4/20 0.37
PDE4C Q08493 4/20 0.37
PDE4D Q08499 4/20 0.37
PDE3B Q13370 4/20 0.37
PDE3A Q14432 4/20 0.37

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
SCHEMBL1223262 0.86 PGR (0.55) PGRPDE4APDE4BPDE4CPDE4D
SCHEMBL5225371 0.85 PGR (1.00) PGRPDE4APDE4BPDE4CPDE4D
SCHEMBL1222740 0.85 PGR (0.55) PGRPDE4APDE4BPDE4CPDE4D
SCHEMBL7128459 0.78 PGR (0.44) PGRPDE4APDE4BPDE4CPDE4D
SCHEMBL3521215 0.74 PGR (0.56) PGRPDE4APDE4BPDE4CPDE4D
SCHEMBL3521249 0.73 PGR (0.61) PGRPDE4APDE4BPDE4CPDE4D
SCHEMBL3522548 0.72 PGR (0.56) PGRPDE4APDE4BPDE4CPDE4D
SCHEMBL5225933 0.70 PGR (0.65) PGRPDE4APDE4BPDE4CPDE4D
SCHEMBL3521989 0.68 PGR (1.00) PGR
SCHEMBL6409727 0.68 PGR (1.00) PGRPDE4APDE4BPDE4CPDE4D

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
US-7645761-B2 Indoline derivatives WYETH (US) 2010-01-12 US disclosed