SCHEMBL8337334

SCHEMBL8337334

O=C(O)c1ccc2cc(CN[C@@H]3CNCC[C@@H]3c3ccc(OCCCOCc4ccccc4F)cc3)ccc2c1

nearest known ligand 0.66

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
REN P00797 18/20 0.66
KDM1A O60341 1/20 0.42
MAOA P21397 1/20 0.42
MAOB P27338 1/20 0.42

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
SCHEMBL8337215 1.00 REN (0.66) RENKDM1AMAOAMAOB
SCHEMBL8338398 0.93 REN (0.69) RENKDM1AMAOAMAOB
SCHEMBL8338489 0.93 REN (0.69) RENKDM1AMAOAMAOB
SCHEMBL8337973 0.84 REN (0.67) RENKDM1AMAOAMAOB
SCHEMBL8338374 0.84 REN (0.67) RENKDM1AMAOAMAOB
SCHEMBL5777293 0.84 REN (0.67) RENKDM1AMAOAMAOB
SCHEMBL8339031 0.84 REN (0.83) REN
SCHEMBL8339706 0.84 REN (0.83) REN
SCHEMBL8339861 0.83 REN (0.63) RENKDM1AMAOAMAOB
SCHEMBL5801143 0.83 REN (0.63) 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