SCHEMBL4755348

SCHEMBL4755348

CC(C)NCCC(OCCNC(=O)O)c1cccc(Cl)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 1/20 0.43
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
CYP1A2 P05177 3/20 0.40
CYP2C9 P11712 3/20 0.40
CYP2C19 P33261 3/20 0.40
ALDH1A1 P00352 3/20 0.40
GPR139 Q6DWJ6 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
CYP2D6 P10635 2/20 0.40
ATM Q13315 1/20 0.40
IDO1 P14902 1/20 0.40
CASR P41180 1/20 0.40
TSHR P16473 2/20 0.39
MAPK1 P28482 2/20 0.39
HTT P42858 2/20 0.39
MAPT P10636 1/20 0.39
LMNA P02545 1/20 0.39
KDM4E B2RXH2 2/20 0.38
HPGD P15428 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
SCHEMBL499635 0.90 REN (0.46) SLC6A4MEN1KMT2ACYP1A2CYP2C9
SCHEMBL4754002 0.88 SLC6A4 (0.56) SLC6A4KMT2ACYP1A2CYP2D6IDO1
SCHEMBL499257 0.80 AOC3 (0.40) SLC6A4MEN1KMT2ACYP1A2CYP2C9
SCHEMBL498922 0.78 SLC6A4 (0.52) SLC6A4MEN1KMT2ACYP1A2CYP2C9
SCHEMBL499203 0.78 SLC6A4 (0.52) SLC6A4MEN1KMT2ACYP1A2CYP2C9
SCHEMBL499694 0.76 REN (0.48) SLC6A4MEN1KMT2ACYP1A2CYP2C9
SCHEMBL499256 0.76 REN (0.44) SLC6A4MEN1KMT2ACYP1A2CYP2C9
SCHEMBL4755350 0.75 SLC6A4 (0.40) SLC6A4MEN1KMT2ACYP1A2CYP2C9
SCHEMBL26599219 0.74 GPR139 (0.47) MEN1KMT2AALDH1A1GPR139ATM
SCHEMBL4754003 0.72 SLC6A4 (0.44) SLC6A4MEN1KMT2ACYP1A2CYP2C9

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-2008156816-A2 RENIN INHIBITORS VITAE PHARMACEUTICALS, INC. (US) 2008-12-24 WO disclosed