SCHEMBL7562786

SCHEMBL7562786

COCCOC(OC1CN(C(=O)O)CCC1c1ccc(OCc2cccc(C#N)c2)cc1)c1ccc2ccccc2c1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 2/20 0.42
KCNH2 Q12809 1/20 0.40
FFAR4 Q5NUL3 1/20 0.38
ADAM17 P78536 2/20 0.37
MMP1 P03956 1/20 0.37
MAOB P27338 1/20 0.37
REN P00797 3/20 0.36
MET P08581 1/20 0.36
PDCD1 Q15116 4/20 0.36
CD274 Q9NZQ7 4/20 0.36
MGLL Q99685 2/20 0.36
YAP1 P46937 1/20 0.36
ALOX5AP P20292 1/20 0.36
CASR P41180 2/20 0.35

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
SCHEMBL6041417 0.80 PDCD1 (0.41) FFAR1KCNH2FFAR4RENMET
SCHEMBL7563846 0.79 CYP3A4 (0.33) KCNH2REN
SCHEMBL7560414 0.79 MAPT (0.43) FFAR1REN
SCHEMBL7560322 0.77 REN (0.39) KCNH2ADAM17MAOBREN
SCHEMBL7566308 0.76 REN (0.37) MAOBRENYAP1
SCHEMBL7563899 0.76 REN (0.37) MAOBRENYAP1
SCHEMBL7562108 0.76 SLC6A4 (0.39) KCNH2REN
SCHEMBL6041828 0.74 REN (0.48) FFAR1KCNH2FFAR4RENPDCD1
SCHEMBL7561346 0.74 SLC6A4 (0.38) KCNH2
SCHEMBL7569293 0.74 TACR1 (0.41) KCNH2

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