SCHEMBL5244435

SCHEMBL5244435

COCCCOc1cc(C(=O)N(CC2CNCC2OCc2cccc3ccccc23)C(C)C)ccc1OC

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
REN P00797 20/20 1.00
ADRA1A P35348 3/20 0.70
KCNH2 Q12809 3/20 0.70
CYP3A4 P08684 1/20 0.70
ADRA2A P08913 1/20 0.70
ADRA2B P18089 1/20 0.70
OPRM1 P35372 1/20 0.70
PDE3B Q13370 1/20 0.70
PDE3A Q14432 1/20 0.70
HTR1A P08908 2/20 0.66
ADRA1D P25100 2/20 0.66
HTR2A P28223 2/20 0.66
ADRA1B P35368 2/20 0.66
HTR2B P41595 2/20 0.66

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
SCHEMBL2936071 1.00 REN (1.00) RENADRA1AKCNH2CYP3A4ADRA2A
SCHEMBL2931213 0.90 REN (0.81) RENADRA1AKCNH2CYP3A4ADRA2A
SCHEMBL2931215 0.90 REN (0.81) RENADRA1AKCNH2CYP3A4ADRA2A
SCHEMBL8263522 0.89 REN (0.82) RENADRA1AKCNH2CYP3A4ADRA2A
SCHEMBL2929255 0.88 REN (1.00) RENADRA1AKCNH2CYP3A4ADRA2A
SCHEMBL2936912 0.88 REN (1.00) RENADRA1AKCNH2CYP3A4ADRA2A
SCHEMBL2929257 0.88 REN (1.00) RENADRA1AKCNH2CYP3A4ADRA2A
SCHEMBL13404586 0.88 REN (1.00) RENADRA1AKCNH2CYP3A4ADRA2A
SCHEMBL2937108 0.87 REN (1.00) RENADRA1AKCNH2CYP3A4ADRA2A
SCHEMBL5325423 0.87 REN (1.00) RENADRA1AKCNH2CYP3A4ADRA2A

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-1836163-A2 PYRROLIDINE DERIVATIVES FOR THE TREATMENT OF A DISEASE DEPENDING ON THE ACTIVITY OF RENIN Novartis AG (CH) 2007-09-26 EP claimed
WO-2006066896-A2 PYRROLIDINE DERIVATIVES FOR THE TREATMENT OF A DISEASE DEPENDING ON THE ACTIVITY OF RENIN NOVARTIS AG (CH) 2006-06-29 WO claimed