SCHEMBL3372279

SCHEMBL3372279

COCCCn1ccc2ccc(C(=O)N(C[C@@H]3CN(C(=O)O)C[C@H]3CO)C(C)C)cc21

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
REN P00797 19/20 0.41
HTR1A P08908 2/20 0.41
ADRA1D P25100 2/20 0.41
HTR2A P28223 2/20 0.41
ADRA1A P35348 2/20 0.41
ADRA1B P35368 2/20 0.41
HTR2B P41595 2/20 0.41
KCNH2 Q12809 2/20 0.41
MCL1 Q07820 1/20 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
SCHEMBL3406800 0.90 REN (0.40) RENHTR1AADRA1DHTR2AADRA1A
SCHEMBL3406532 0.89 REN (0.41) RENHTR1AADRA1DHTR2AADRA1A
SCHEMBL2929798 0.81 REN (0.48) RENHTR1AADRA1DHTR2AADRA1A
SCHEMBL2929797 0.81 REN (0.48) RENHTR1AADRA1DHTR2AADRA1A
SCHEMBL3373431 0.81 REN (0.39) RENHTR1AADRA1DHTR2AADRA1A
SCHEMBL3372260 0.80 REN (0.64) RENHTR1AADRA1DHTR2AADRA1A
SCHEMBL3372059 0.80 REN (0.38) RENHTR1AADRA1DHTR2AADRA1A
SCHEMBL8263148 0.79 REN (0.67) RENHTR1AADRA1DHTR2AADRA1A
SCHEMBL3370811 0.79 REN (0.37) RENHTR1AADRA1DHTR2AADRA1A
SCHEMBL3372333 0.78 REN (0.40) 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-1863477-B1 3,4-SUBSTITUTED PYRROLIDINE DERIVATIVES FOR THE TREATMENT OF HYPERTENSION NOVARTIS AG (CH) 2010-11-03 EP disclosed