SCHEMBL6073260

SCHEMBL6073260

CCC1(c2ccccc2)c2ccccc2CCN1C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MITF O75030 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
HDAC9 Q9UKV0 1/20 0.39
KIF11 P52732 1/20 0.38
OPRM1 P35372 3/20 0.37
SLC22A1 O15245 1/20 0.37
SLC6A4 P31645 1/20 0.37
ADRA1A P35348 1/20 0.37
OPRD1 P41143 1/20 0.37
OPRK1 P41145 1/20 0.37
KCNH2 Q12809 1/20 0.37
POLB P06746 1/20 0.36

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
SCHEMBL1404036 1.00 MITF (0.39) MITFMEN1KMT2AHDAC9KIF11
SCHEMBL2523832 0.83 SIGMAR1 (0.39) KMT2AHDAC9KIF11SLC6A4
SCHEMBL2525394 0.83 SIGMAR1 (0.39) KMT2AHDAC9KIF11SLC6A4
SCHEMBL28703383 0.78 SIGMAR1 (0.39) MEN1KMT2A
SCHEMBL15355355 0.76 ALDH1A1 (0.43) MEN1KMT2AHDAC9
SCHEMBL9375293 0.75 SIGMAR1 (0.46) MEN1KMT2A
SCHEMBL15355309 0.74 ALDH1A1 (0.38) MEN1KMT2AHDAC9
SCHEMBL15355348 0.73 MEN1 (0.39) MEN1KMT2AHDAC9POLB
SCHEMBL1724164 0.71 SIGMAR1 (0.38) KIF11OPRM1OPRD1OPRK1
SCHEMBL22776858 0.70 CHRM5 (0.34) MEN1KMT2AHDAC9

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-2484681-A1 Chemically and chirally pure gentisate salt of solifenacin Cadila Healthcare Limited (IN) 2012-08-08 EP disclosed
WO-2006035280-A1 3,4-DIHYDROISOQUINOLINE COMPOUNDS AS MUSCRINIC RECEPTOR ANTAGONISTS FOR THE TREATMENT OF RESPIRATORY, URINARY AND GASTROINTESTINAL DISEASES RANBAXY LABORATORIES LIMITED (IN) 2006-04-06 WO disclosed