SCHEMBL8992376

SCHEMBL8992376

CC(=O)OC1C=CCC1(c1ccccc1)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.39
TSHR P16473 2/20 0.39
POLB P06746 1/20 0.37
MEN1 O00255 1/20 0.36
HDAC4 P56524 1/20 0.36
HTT P42858 1/20 0.36
LMNA P02545 2/20 0.35
GAA P10253 1/20 0.35
ALDH1A1 P00352 1/20 0.34
THRB P10828 1/20 0.34
PKM P14618 1/20 0.34
OPRM1 P35372 1/20 0.34
OPRL1 P41146 1/20 0.34
NPSR1 Q6W5P4 2/20 0.34
KDM4E B2RXH2 1/20 0.33
SLC22A1 O15245 1/20 0.33

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
SCHEMBL11725607 0.74 SLC22A1 (0.48) KMT2ATSHRPOLBMEN1HTT
SCHEMBL8992280 0.69 HDAC4 (0.36) HDAC4GAAALDH1A1
SCHEMBL11730235 0.68 SLC22A1 (0.66) OPRM1SLC22A1
SCHEMBL11803731 0.66 NPSR1 (0.39) KMT2ATSHRGAAALDH1A1OPRM1
SCHEMBL10448804 0.66 GAA (0.35) KMT2ATSHRPOLBMEN1HTT
SCHEMBL10448813 0.64 TSHR (0.43) KMT2ATSHRGAAALDH1A1OPRM1
SCHEMBL11884873 0.64 KDM4E (0.40) KMT2ATSHRPOLBMEN1HTT
SCHEMBL9047574 0.62 HTT (0.41) KMT2ATSHRPOLBMEN1HTT
SCHEMBL11593041 0.61 ALDH1A1 (0.50) KMT2APOLBMEN1HTTLMNA
SCHEMBL5376177 0.61 HDAC4 (0.62) KMT2AMEN1HDAC4HTTOPRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0445749-B1 N-Monosubstituted cyclopentenylamines, a process for their preparation and their use as medicaments FUJISAWA PHARMACEUTICAL CO (JP) 1996-07-10 EP disclosed
US-5256824-A Anticholinergic agents FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1993-10-26 US disclosed
EP-0445749-A1 N-Monosubstituted cyclopentenylamines, a process for their preparation and their use as medicaments FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1991-09-11 EP disclosed