SCHEMBL5593533

SCHEMBL5593533

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

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
REN P00797 4/20 0.42
GRM5 P41594 2/20 0.32
DRD2 P14416 2/20 0.32
DRD1 P21728 2/20 0.32
HTR2A P28223 2/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
CSNK1D P48730 1/20 0.31
CSNK1E P49674 1/20 0.31
MAPK14 Q16539 1/20 0.31
CHRM3 P20309 3/20 0.31
SIGMAR1 Q99720 1/20 0.31
MDM2 Q00987 1/20 0.31
AKR1C3 P42330 1/20 0.31
AKR1C2 P52895 1/20 0.31
CNR1 P21554 1/20 0.31
CNR2 P34972 1/20 0.31
CASR P41180 1/20 0.30
HPGD P15428 1/20 0.30

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
SCHEMBL5593271 0.83 REN (0.52) RENCHRM3MDM2
SCHEMBL5592039 0.83 REN (0.51) RENGRM5AKR1C3AKR1C2HPGD
SCHEMBL12991721 0.82 REN (0.49) REN
SCHEMBL13631083 0.82 REN (0.49) REN
SCHEMBL3565277 0.82 REN (0.49) REN
SCHEMBL3881752 0.82 REN (0.52) RENCHRM3MDM2
SCHEMBL3565274 0.82 REN (0.49) REN
SCHEMBL3880020 0.80 REN (0.60) RENCHRM3MDM2
SCHEMBL5616624 0.80 REN (0.49) RENL3MBTL1CHRM3MDM2HPGD
SCHEMBL4971786 0.78 HSD17B2 (0.38) DRD2DRD1

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