SCHEMBL8208435

SCHEMBL8208435

NC(=O)c1c(Cc2ccccc2)cccc1C1CCN(C(=O)O)CC1OCc1ccc2ccccc2c1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
REN P00797 7/20 0.37
MC4R P32245 2/20 0.35
MC3R P41968 2/20 0.35
MC1R Q01726 2/20 0.35
MGLL Q99685 1/20 0.34
BDKRB2 P30411 1/20 0.34
SSTR4 P31391 1/20 0.34
SSTR5 P35346 1/20 0.34
AXL P30530 1/20 0.34
MERTK Q12866 1/20 0.34
SLC6A2 P23975 1/20 0.34
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
SLC6A4 P31645 1/20 0.34
HTR7 P34969 1/20 0.34
HTR2B P41595 1/20 0.34
HTR3A P46098 1/20 0.34
SLC6A3 Q01959 1/20 0.34
HTR4 Q13639 1/20 0.34

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
SCHEMBL6042984 0.83 REN (0.42) RENSLC6A2HTR2AHTR2CSLC6A4
SCHEMBL6042481 0.82 REN (0.42) RENSLC6A2HTR2AHTR2CSLC6A4
SCHEMBL6041307 0.80 REN (0.52) RENSLC6A2HTR2AHTR2CSLC6A4
SCHEMBL6041808 0.79 REN (0.44) REN
SCHEMBL6042381 0.79 REN (0.50) REN
SCHEMBL6043508 0.79 REN (0.51) REN
SCHEMBL6042287 0.77 REN (0.52) REN
SCHEMBL8191081 0.77 REN (0.45) REN
SCHEMBL6041804 0.77 REN (0.59) RENSLC6A2SLC6A3
SCHEMBL6041537 0.77 KDM4E (0.41) RENSLC6A2HTR2AHTR2CSLC6A4

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
US-6150526-A Piperidine derivative having renin inhibiting activity HOFFMANN-LA ROCHE INC. (US) 2000-11-21 US disclosed