SCHEMBL7566407

SCHEMBL7566407

O=C(O)N1CCC(c2ccc(OCC3CO3)cc2)CC1OCc1ccc2ccccc2c1

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 1/20 0.42
REN P00797 12/20 0.41
TDP1 Q9NUW8 1/20 0.39
CYSLTR2 Q9NS75 2/20 0.38
CYSLTR1 Q9Y271 2/20 0.38
MRGPRX4 Q96LA9 1/20 0.37

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
SCHEMBL6044046 0.78 REN (0.49) DRD4REN
SCHEMBL6044054 0.78 REN (0.49) DRD4REN
SCHEMBL7566408 0.77 DRD4 (0.42) DRD4RENTDP1MRGPRX4
SCHEMBL6042982 0.73 SLC6A2 (0.46) REN
SCHEMBL3079289 0.73 REN (0.45) REN
SCHEMBL6041320 0.69 REN (0.48) REN
SCHEMBL28033822 0.69 TDP1 (0.58) DRD4TDP1
SCHEMBL7562291 0.68 ESR1 (0.36) DRD4
SCHEMBL30546900 0.66 ALDH1A1 (0.68) DRD4TDP1
SCHEMBL844653 0.66 ALDH1A1 (0.68) DRD4TDP1

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-2002076440-A2 METHODS OF TREATING ALZHEIMER'S DISEASE WITH PIPERIDIN DERIVATES ELAN PHARMACEUTICALS, INC. (US) 2002-10-03 WO disclosed