SCHEMBL6652006

SCHEMBL6652006

CN(CCc1ccc2[nH]cc(C(=O)OC(C)(C)C)c2c1)C1CCCCC1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.46
MAPT P10636 3/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
GABRA1 P14867 4/20 0.42
GABRB2 P47870 4/20 0.42
LMNA P02545 2/20 0.40
HIF1A Q16665 1/20 0.40
POLB P06746 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HTR1D P28221 2/20 0.37
HTR1B P28222 2/20 0.37
NR4A2 P43354 1/20 0.37
BCHE P06276 1/20 0.36
GABRB1 P18505 1/20 0.36
GABRA3 P34903 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
SCHEMBL6647187 0.92 ALDH1A1 (0.52) ALDH1A1MAPTL3MBTL1GABRA1GABRB2
SCHEMBL6676999 0.81 GABRA1 (0.47) ALDH1A1GABRA1GABRB2LMNAPOLB
SCHEMBL6650264 0.80 GABRA1 (0.45) ALDH1A1GABRA1GABRB2POLBNR4A2
SCHEMBL6648434 0.79 GABRA1 (0.46) GABRA1GABRB2NR4A2
SCHEMBL6647509 0.75 NR4A2 (0.49) MAPTGABRA1GABRB2LMNANR4A2
SCHEMBL6990824 0.73 ALDH1A1 (0.39) ALDH1A1MAPTGABRA1GABRB2LMNA
SCHEMBL6651435 0.72 KDM4E (0.44) ALDH1A1MAPTL3MBTL1GABRA1GABRB2
SCHEMBL6645714 0.71 NR4A2 (0.39) ALDH1A1GABRA1GABRB2LMNANR4A2
SCHEMBL6049347 0.71 GABRA1 (0.44) GABRA1GABRB2GABRB1GABRA3
SCHEMBL6649505 0.70 NR4A2 (0.47) MAPTGABRA1GABRB2NR4A2

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-1474425-A1 DEAZAPURINES AND USES THEREOF Eisai Co. Ltd. (JP) 2004-11-10 EP disclosed
WO-2004063336-A2 USES OF DEAZAPURINES FOR THE TREATMENT OF REPERFUSION INJURIES, OSTEOPOROSIS AND/OR BONE METASTASIS EISAI CO. LTD. (JP) 2004-07-29 WO disclosed
WO-2003057696-A1 DEAZAPURINES AND USES THEREOF EISAI CO. LTD. (JP) 2003-07-17 WO disclosed