SCHEMBL7804195

SCHEMBL7804195

CC(C)(C)OC(=O)N1CCC(Cn2ncc3ccc([N+](=O)[O-])cc32)C1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
MAPT P10636 1/20 0.44
NPC1 O15118 1/20 0.42
NR1D1 P20393 2/20 0.41
TGFBR1 P36897 1/20 0.41
PIK3CD O00329 1/20 0.41
GPR119 Q8TDV5 2/20 0.40
IDO1 P14902 1/20 0.39
TDO2 P48775 1/20 0.39
USP30 Q70CQ3 2/20 0.38
ALOX5AP P20292 2/20 0.38
FEN1 P39748 2/20 0.38
MET P08581 1/20 0.37
KDM4E B2RXH2 1/20 0.37
PKM P14618 1/20 0.37
DRD2 P14416 1/20 0.37

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
SCHEMBL30860229 0.88 ALDH1A1 (0.47) ALDH1A1LMNAMAPTNPC1GPR119
SCHEMBL19127895 0.87 ALDH1A1 (0.47) ALDH1A1LMNAMAPTTGFBR1GPR119
SCHEMBL7805964 0.84 ALDH1A1 (0.46) ALDH1A1LMNAMAPTNR1D1TGFBR1
SCHEMBL31591498 0.81 DRD2 (0.40) ALDH1A1LMNAMAPTNPC1GPR119
SCHEMBL3352923 0.80 GPR119 (0.58) ALDH1A1LMNAMAPTGPR119
SCHEMBL3384221 0.78 GLS (0.50) LMNAMAPTNPC1
SCHEMBL7804911 0.77 GPR119 (0.47) ALDH1A1LMNAMAPTNPC1NR1D1
SCHEMBL31129835 0.77 MET (0.37) ALDH1A1LMNAMAPTPIK3CDGPR119
SCHEMBL28167461 0.76 TSHR (0.51) LMNAPIK3CDGPR119KDM4EPKM
SCHEMBL7805916 0.76 BRD4 (0.43) ALDH1A1LMNAMAPTNPC1PKM

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-0902027-B1 Indole and indazole derivatives, process for their preparation and the pharmaceutical compositions containing them ADIR (FR) 2001-07-25 EP disclosed
US-6046205-A FOR TREATMENT OF VENOUS INSUFFICIENCY AND OF ASSOCIATED DISORDERS, AND ALSO IN THE TREATMENT OF MIGRAINE ADIR ET COMPAGNIE (FR) 2000-04-04 US disclosed
US-6020336-A Indole and indazole compounds LES LABORATOIRES SERVIER (FR) 2000-02-01 US disclosed