SCHEMBL8338796

SCHEMBL8338796

COC(=O)c1cccc(CN[C@@H]2CNCC[C@@H]2c2ccc(OCCCOCc3ccccc3F)cc2)n1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
REN P00797 12/20 0.55
MAOB P27338 2/20 0.42
KDM1A O60341 1/20 0.42
MAOA P21397 1/20 0.42
KCNH2 Q12809 5/20 0.39
SCN3A Q9NY46 5/20 0.39
SCN1A P35498 1/20 0.39
SCN4A P35499 1/20 0.39
SCN7A Q01118 1/20 0.39
SCN5A Q14524 1/20 0.39
SCN9A Q15858 1/20 0.39
SCN2A Q99250 1/20 0.39
SCN8A Q9UQD0 1/20 0.39
SCN10A Q9Y5Y9 1/20 0.39
CYP1A2 P05177 1/20 0.38
CYP2B6 P20813 1/20 0.38
CYP2C19 P33261 1/20 0.38

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
SCHEMBL5797332 1.00 REN (0.55) RENMAOBKDM1AMAOAKCNH2
SCHEMBL8339365 1.00 REN (0.55) RENMAOBKDM1AMAOAKCNH2
SCHEMBL8338489 0.83 REN (0.69) RENMAOBKDM1AMAOA
SCHEMBL8338398 0.83 REN (0.69) RENMAOBKDM1AMAOA
SCHEMBL8335652 0.80 REN (0.60) RENMAOBKDM1AMAOAKCNH2
SCHEMBL8334775 0.80 REN (0.60) RENMAOBKDM1AMAOAKCNH2
SCHEMBL5779931 0.80 REN (0.60) RENMAOBKDM1AMAOAKCNH2
SCHEMBL8337215 0.79 REN (0.66) RENMAOBKDM1AMAOA
SCHEMBL8337334 0.79 REN (0.66) RENMAOBKDM1AMAOA
SCHEMBL5777293 0.76 REN (0.67) RENMAOBKDM1AMAOA

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
WO-2004089903-A9 PIPERIDINE DERIVATIVES AS RENIN INHIBITORS FOR THE TREATMENT OF HYPERTENSION WARNER LAMBERT CO (US) 2005-10-27 WO disclosed