SCHEMBL7805964

SCHEMBL7805964

CC(C)(C)OC(=O)N1CCC(Cn2ccc3ccc([N+](=O)[O-])cc32)C1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
MAPT P10636 1/20 0.46
HTR7 P34969 1/20 0.44
NR1D1 P20393 2/20 0.43
KDM4E B2RXH2 1/20 0.39
PKM P14618 1/20 0.39
USP30 Q70CQ3 1/20 0.39
GPR119 Q8TDV5 4/20 0.39
DRD2 P14416 1/20 0.39
AR P10275 1/20 0.38
FEN1 P39748 1/20 0.38
TGFBR1 P36897 1/20 0.38

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
SCHEMBL3507796 0.87 ALDH1A1 (0.49) ALDH1A1LMNAMAPTKDM4EPKM
SCHEMBL7804195 0.84 ALDH1A1 (0.44) ALDH1A1LMNAMAPTNR1D1KDM4E
SCHEMBL7808872 0.84 NR1H2 (0.44) KDM4EPKMUSP30GPR119FEN1
SCHEMBL7943896 0.82 GPR119 (0.46) ALDH1A1KDM4EGPR119
SCHEMBL15522269 0.81 ALDH1A1 (0.48) ALDH1A1LMNAMAPTGPR119DRD2
SCHEMBL3354696 0.80 HTR7 (0.58) ALDH1A1MAPTHTR7PKMAR
SCHEMBL3354815 0.80 MAPT (0.52) ALDH1A1LMNAMAPTKDM4EGPR119
SCHEMBL7804105 0.80 GPR119 (0.41) KDM4EPKMUSP30GPR119TGFBR1
SCHEMBL7804911 0.79 GPR119 (0.47) ALDH1A1LMNAMAPTNR1D1KDM4E
SCHEMBL7805941 0.77 HTR7 (0.53) ALDH1A1LMNAMAPTHTR7KDM4E

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