SCHEMBL2937800

SCHEMBL2937800

COCCn1ccc2cc(OC(=O)N(C[C@H]3CNC[C@@H]3Cc3ccccc3)C(C)C)ccc21

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
REN P00797 18/20 0.50
HTR1A P08908 2/20 0.50
ADRA1D P25100 2/20 0.50
HTR2A P28223 2/20 0.50
ADRA1A P35348 2/20 0.50
ADRA1B P35368 2/20 0.50
HTR2B P41595 2/20 0.50
KCNH2 Q12809 2/20 0.50
EPHX2 P34913 1/20 0.40
PPARG P37231 1/20 0.40
CYP3A4 P08684 1/20 0.39

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
SCHEMBL2930880 0.95 REN (0.53) RENHTR1AADRA1DHTR2AADRA1A
SCHEMBL2940973 0.94 REN (0.50) RENHTR1AADRA1DHTR2AADRA1A
SCHEMBL2937901 0.89 REN (0.53) RENHTR1AADRA1DHTR2AADRA1A
SCHEMBL13177326 0.87 REN (0.64) RENHTR1AADRA1DHTR2AADRA1A
SCHEMBL3070444 0.83 REN (0.51) RENHTR1AADRA1DHTR2AADRA1A
SCHEMBL13404583 0.82 REN (0.67) RENHTR1AADRA1DHTR2AADRA1A
SCHEMBL8262654 0.82 REN (0.64) RENHTR1AADRA1DHTR2AADRA1A
SCHEMBL2935467 0.80 REN (0.51) RENHTR1AADRA1DHTR2AADRA1A
SCHEMBL3370509 0.80 REN (0.43) RENHTR1AADRA1DHTR2AADRA1A
SCHEMBL2931341 0.79 REN (0.54) RENHTR1AADRA1DHTR2AADRA1A

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-1836163-B1 PYRROLIDINE DERIVATIVES FOR THE TREATMENT OF A DISEASE DEPENDING ON THE ACTIVITY OF RENIN NOVARTIS AG (CH) 2010-09-22 EP claimed