SCHEMBL7199941

SCHEMBL7199941

CCCCOC(=O)N1CCC(C(c2ccccc2)c2ccccc2)C1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPY2R P49146 1/20 0.48
MGLL Q99685 4/20 0.46
TSHR P16473 1/20 0.45
GAA P10253 1/20 0.44
MMP2 P08253 1/20 0.44
MMP3 P08254 1/20 0.44
MMP9 P14780 1/20 0.44
MMP8 P22894 1/20 0.44
MMP13 P45452 1/20 0.44
ALDH1A1 P00352 1/20 0.44
PRMT5 O14744 1/20 0.43
WDR77 Q9BQA1 1/20 0.43
LMNA P02545 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
KDM4E B2RXH2 1/20 0.43
POLB P06746 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43

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
SCHEMBL30543794 0.81 LMNA (0.48) GAAMMP2MMP3MMP9MMP8
SCHEMBL14198379 0.80 TSHR (0.63) NPY2RMGLLTSHRGAAALDH1A1
SCHEMBL4709679 0.80 PRMT5 (0.64) GAAALDH1A1PRMT5WDR77LMNA
SCHEMBL12469109 0.80 ALDH1A1 (0.47) MMP2MMP3MMP9MMP8MMP13
SCHEMBL5770204 0.80 CTSK (0.44) NPY2RTSHRMMP2MMP3MMP9
SCHEMBL2361594 0.79 LMNA (0.49) GAAMMP2MMP3MMP9MMP8
SCHEMBL5768400 0.79 CTSK (0.43) MMP2MMP3MMP9MMP8MMP13
SCHEMBL18613893 0.77 KDM4E (0.49) ALDH1A1LMNAKDM4E
SCHEMBL8922008 0.77 CHRM4 (0.59) GAAALDH1A1PRMT5WDR77LMNA
SCHEMBL29429485 0.77 LMNA (0.47) GAAMMP2MMP3MMP9MMP8

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-1294700-A2 BENZHYDRYL DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-03-26 EP disclosed
WO-2002000631-A2 BENZHYDRYL DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-01-03 WO disclosed