SCHEMBL4598643

SCHEMBL4598643

COCCCOc1cc(CN(C(=O)C2CC(N)CN(C(=O)O)C2)C2CC2)cc(OC)c1

nearest known ligand 0.45

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
REN P00797 20/20 0.45
KCNH2 Q12809 6/20 0.42
CYP3A4 P08684 3/20 0.41

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
SCHEMBL4491158 0.89 REN (0.42) RENKCNH2CYP3A4
SCHEMBL4491163 0.89 REN (0.42) RENKCNH2CYP3A4
SCHEMBL4514582 0.84 REN (0.41) RENKCNH2CYP3A4
SCHEMBL4498916 0.84 REN (0.41) RENKCNH2CYP3A4
SCHEMBL17005404 0.78 REN (0.50) RENKCNH2CYP3A4
SCHEMBL90351 0.74 REN (0.46) RENKCNH2CYP3A4
SCHEMBL89696 0.74 REN (0.46) RENKCNH2CYP3A4
SCHEMBL1913362 0.74 REN (0.50) RENKCNH2CYP3A4
SCHEMBL4496291 0.74 REN (0.50) RENKCNH2CYP3A4
SCHEMBL89818 0.73 REN (0.41) RENKCNH2

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
EP-1907359-A2 3,5-SUBSTITUTED PIPERIDINE DERIVATIVES EFFECTIVE ON RENIN-RELATED DISORDERS Novartis AG (CH) 2008-04-09 EP disclosed
WO-2007006534-A2 PIPERIDINE DERIVATIVES USEFUL IN THE DIAGNOSTIC AND THERAPEUTIC TREATMENT OF DISEASES DEPENDING ON RENIN ACTIVITY NOVARTIS AG (CH) 2007-01-18 WO disclosed