SCHEMBL8334775

SCHEMBL8334775

COC(=O)COc1cccc(CN[C@@H]2CNCCC2c2ccc(OCCCOCc3ccccc3F)cc2)c1

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
REN P00797 13/20 0.60
KDM1A O60341 1/20 0.41
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
KCNH2 Q12809 4/20 0.39
SCN3A Q9NY46 4/20 0.38
SCN1A P35498 1/20 0.38
SCN4A P35499 1/20 0.38
SCN7A Q01118 1/20 0.38
SCN5A Q14524 1/20 0.38
SCN9A Q15858 1/20 0.38
SCN2A Q99250 1/20 0.38
SCN8A Q9UQD0 1/20 0.38
SCN10A Q9Y5Y9 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
SCHEMBL5779931 1.00 REN (0.60) RENKDM1AMAOAMAOBKCNH2
SCHEMBL8335652 1.00 REN (0.60) RENKDM1AMAOAMAOBKCNH2
SCHEMBL6230983 0.94 REN (0.56) RENKDM1AMAOAMAOB
SCHEMBL8336933 0.85 REN (0.56) RENKDM1AMAOAMAOB
SCHEMBL8337356 0.85 REN (0.56) RENKDM1AMAOAMAOB
SCHEMBL6229997 0.85 REN (0.56) RENKDM1AMAOAMAOB
SCHEMBL8338398 0.84 REN (0.69) RENKDM1AMAOAMAOB
SCHEMBL8338489 0.84 REN (0.69) RENKDM1AMAOAMAOB
SCHEMBL6233320 0.83 REN (0.53) RENKDM1AMAOAMAOB
SCHEMBL8336941 0.83 REN (0.53) RENKDM1AMAOAMAOB

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