SCHEMBL4435334

SCHEMBL4435334

CC(C(=O)O)N1CCSCC1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FDPS P14324 1/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
MAOB P27338 1/20 0.36
RAB9A P51151 1/20 0.34
SLC6A9 P48067 1/20 0.33
LIPE Q05469 1/20 0.33
DPP4 P27487 4/20 0.33
DPP8 Q6V1X1 2/20 0.33
DPP9 Q86TI2 2/20 0.33
DPP7 Q9UHL4 2/20 0.33
HPGD P15428 1/20 0.32
TP53 P04637 1/20 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
SCHEMBL29299508 0.83 SLC6A9 (0.40) MEN1KMT2ACYP1A2CYP2D6RAB9A
SCHEMBL14100030 0.83 SLC6A9 (0.40) MEN1KMT2ACYP1A2CYP2D6RAB9A
SCHEMBL1165366 0.83 SLC6A9 (0.40) MEN1KMT2ACYP1A2CYP2D6RAB9A
SCHEMBL1133814 0.83
SCHEMBL13223389 0.83 SLC6A9 (0.40) MEN1KMT2ACYP1A2CYP2D6RAB9A
SCHEMBL24220960 0.83 SLC6A9 (0.40) MEN1KMT2ACYP1A2CYP2D6RAB9A
SCHEMBL7744888 0.83 SLC6A9 (0.40) MEN1KMT2ACYP1A2CYP2D6RAB9A
SCHEMBL3967181 0.83 SLC6A9 (0.40) MEN1KMT2ACYP1A2CYP2D6RAB9A
SCHEMBL5090586 0.80 FDPS (0.42) FDPSMEN1KMT2ACYP1A2CYP2D6
SCHEMBL22821444 0.79 SLC6A9 (0.36) MEN1KMT2ACYP2D6RAB9ASLC6A9

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2121137-A1 QUINUCLIDINOL DERIVATIVES AS MUSCARINIC RECEPTOR ANTAGONISTS AstraZeneca AB (SE) 2009-11-25 EP disclosed
WO-2008075005-A1 QUINUCLIDINOL DERIVATIVES AS MUSCARINIC RECEPTOR ANTAGONISTS ASTRAZENECA AB (SE) 2008-06-26 WO disclosed