SCHEMBL3372583

SCHEMBL3372583

COCCCn1cc(C)c2ccc(OC(=O)N(C[C@@H]3CNC[C@H]3CN(C)C(=O)CC3CCCCC3)C(C)C)cc21

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
REN P00797 18/20 0.44
CYP3A4 P08684 1/20 0.37
PDE4A P27815 2/20 0.37
PDE4B Q07343 2/20 0.37
PDE4C Q08493 2/20 0.37
PDE4D Q08499 2/20 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
SCHEMBL8257452 0.89 REN (0.52) RENCYP3A4
SCHEMBL3372629 0.87 REN (0.43) RENCYP3A4
SCHEMBL2935467 0.83 REN (0.51) RENCYP3A4
SCHEMBL3374315 0.75 REN (0.53) RENCYP3A4
SCHEMBL3370509 0.74 REN (0.43) RENCYP3A4
SCHEMBL13068969 0.73 REN (0.49) REN
SCHEMBL8260051 0.72 REN (0.49) REN
SCHEMBL13068715 0.72 REN (0.49) REN
SCHEMBL3370933 0.71 REN (0.48) REN
SCHEMBL3369197 0.71 REN (0.77) 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
EP-1863477-B1 3,4-SUBSTITUTED PYRROLIDINE DERIVATIVES FOR THE TREATMENT OF HYPERTENSION NOVARTIS AG (CH) 2010-11-03 EP claimed