SCHEMBL5593271

SCHEMBL5593271

Cc1cccc(-c2c(F)cccc2C(OCCO)[C@@H]2CCCN(C(C)(C)C)C2)c1

nearest known ligand 0.52

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
REN P00797 9/20 0.52
CHRM3 P20309 4/20 0.32
MDM2 Q00987 3/20 0.32
KDM4E B2RXH2 2/20 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
SCHEMBL3881752 0.92 REN (0.52) RENCHRM3MDM2KDM4E
SCHEMBL3880020 0.88 REN (0.60) RENCHRM3MDM2
SCHEMBL5616624 0.86 REN (0.49) RENCHRM3MDM2KDM4E
SCHEMBL3571858 0.85 REN (0.57) REN
SCHEMBL3571861 0.85 REN (0.57) REN
SCHEMBL4973514 0.84 REN (0.44) RENCHRM3KDM4E
SCHEMBL5593533 0.83 REN (0.42) RENCHRM3MDM2
SCHEMBL14403661 0.80 REN (0.46) RENKDM4E
SCHEMBL4971018 0.79 REN (0.46) RENKDM4E
SCHEMBL3569058 0.78 REN (0.59) REN

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-2007117560-A2 PIPERIDINE AND MORPHOLINE RENIN INHIBITORS VITAE PHARMACEUTICALS, INC. (US) 2007-10-18 WO disclosed