SCHEMBL534289

SCHEMBL534289

CCCCN1CCC(c2cccnc2)C(c2ccc(-c3ccccc3CCCOC)cc2C)C1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
REN P00797 1/20 0.41
KCNH2 Q12809 1/20 0.41
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
OPRK1 P41145 1/20 0.35
SLC6A3 Q01959 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35
HTR1A P08908 3/20 0.35
DRD1 P21728 2/20 0.35
DRD4 P21917 2/20 0.35
DRD5 P21918 2/20 0.35
DRD3 P35462 2/20 0.35
DRD2 P14416 1/20 0.35
SIGMAR1 Q99720 8/20 0.34
HTR7 P34969 1/20 0.34
PDCD1LG2 Q9BQ51 1/20 0.34
CD274 Q9NZQ7 1/20 0.34
APLNR P35414 1/20 0.32

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
SCHEMBL557570 0.85 REN (0.43) RENKCNH2APLNR
SCHEMBL10202445 0.81 REN (0.60) RENKCNH2
SCHEMBL557571 0.79 REN (0.41) RENKCNH2APLNR
SCHEMBL534916 0.76 REN (0.54) RENKCNH2PDCD1LG2CD274APLNR
SCHEMBL535102 0.75 REN (0.36) RENKCNH2APLNR
SCHEMBL556315 0.75 REN (0.40) RENKCNH2SLC6A2SLC6A4OPRK1
SCHEMBL7869553 0.72 REN (0.71) RENKCNH2SLC6A2SLC6A4SLC6A3
SCHEMBL555467 0.71 REN (0.61) RENKCNH2CD274
SCHEMBL7869555 0.71 REN (0.49) RENKCNH2
SCHEMBL556668 0.71 LIPE (0.36) 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-2413941-A1 RENIN INHIBITORS Merck Sharp & Dohme Corp. (US) 2012-02-08 EP disclosed
WO-2010114978-A1 RENIN INHIBITORS MERCK SHARP & DOHME CORP. (US) 2010-10-07 WO disclosed