SCHEMBL6958348

SCHEMBL6958348

CCN(CC)c1cccc2oc3ccc([N+](=O)[O-])cc3c12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.49
MAPT P10636 2/20 0.49
KMT2A Q03164 2/20 0.49
TP53 P04637 1/20 0.47
HTT P42858 1/20 0.47
GABRP O00591 1/20 0.44
GABRD O14764 1/20 0.44
GABRA1 P14867 1/20 0.44
GABRB1 P18505 1/20 0.44
GABRG2 P18507 1/20 0.44
GABRB3 P28472 1/20 0.44
GABRA5 P31644 1/20 0.44
GABRA3 P34903 1/20 0.44
GABRA2 P47869 1/20 0.44
GABRB2 P47870 1/20 0.44
GABRA4 P48169 1/20 0.44
GABRE P78334 1/20 0.44
GABRA6 Q16445 1/20 0.44
GABRG1 Q8N1C3 1/20 0.44
GABRG3 Q99928 1/20 0.44

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
SCHEMBL6962162 0.77 MAPT (0.50) MEN1MAPTKMT2AHTTEGFR
Hydrochloric Acid SCHEMBL6954185 0.76 MAPT (0.49) MEN1MAPTKMT2AEGFRIGF1R
SCHEMBL8111024 0.76 MAPT (0.41) MAPTPGRPOLB
SCHEMBL7379709 0.74 MAOA (0.53) MEN1MAPTKMT2ANPC1RAB9A
SCHEMBL2340821 0.73 MAPT (0.81) MEN1MAPTKMT2AGABRPGABRD
SCHEMBL11442270 0.72 KMT2A (0.45) MEN1MAPTKMT2AHTTCA9
SCHEMBL9180139 0.70 MAPT (0.54) MEN1MAPTKMT2AGABRPGABRD
SCHEMBL5183361 0.69 MAPT (0.46) MEN1MAPTKMT2AGABRPGABRD
SCHEMBL9189119 0.69 KDM1A (0.61) MEN1MAPTKMT2AGABRPGABRD
SCHEMBL6524056 0.69 MAPT (0.69) MEN1MAPTKMT2AGABRPGABRD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0929299-B1 SUBSTITUTED 1,2,3,4-TETRAHYDRO-2-DIBENZOFURANAMINES AND 2-AMINOCYCLOHEPTA(b)BENZOFURANS LILLY CO ELI (US) 2003-10-08 EP disclosed
US-5935992-A TREATMENT OF MIGRAINE ELI LILLY AND COMPANY (US) 1999-08-10 US disclosed
US-5932739-A TREATMENT OF MIGRAINE ELI LILLY AND COMPANY (US) 1999-08-03 US disclosed
US-5846995-A Substituted 1, 2, 3, 4-tetrahydro-2-dibenzofuranamines and 2-amino-cyclohepta (6, 7-B) Benzofurans ELI LILLY AND COMPANY (US) 1998-12-08 US disclosed