SCHEMBL6949659

SCHEMBL6949659

C[C@@H](NC1CCC(=NOc2ccc([N+](=O)[O-])cc2)CC1)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.54
NPC1 O15118 2/20 0.54
RAB9A P51151 2/20 0.54
L3MBTL1 Q9Y468 2/20 0.54
MAPT P10636 5/20 0.41
HTT P42858 2/20 0.41
GAA P10253 5/20 0.40
KMT2A Q03164 5/20 0.38
ALDH1A1 P00352 4/20 0.38
LMNA P02545 2/20 0.37
MEN1 O00255 3/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
TRPV1 Q8NER1 1/20 0.36
SLC6A3 Q01959 1/20 0.35

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
SCHEMBL6962537 0.83 GAA (0.43) POLBNPC1L3MBTL1MAPTGAA
Hydrochloric Acid SCHEMBL6957801 0.82 GAA (0.43) POLBNPC1L3MBTL1MAPTGAA
SCHEMBL6955823 0.80 GAA (0.44) POLBL3MBTL1MAPTGAAKMT2A
SCHEMBL6953679 0.80 GAA (0.44) POLBL3MBTL1MAPTGAAKMT2A
SCHEMBL6959454 0.78 MAOB (0.39) POLBNPC1RAB9AL3MBTL1MAPT
SCHEMBL6959447 0.78 MAOB (0.39) POLBNPC1RAB9AL3MBTL1MAPT
SCHEMBL16968736 0.77 GAA (0.57) POLBL3MBTL1MAPTHTTGAA
SCHEMBL13646805 0.76 NPC1 (0.74) POLBNPC1RAB9AL3MBTL1MAPT
SCHEMBL3863722 0.75 NPC1 (0.72) POLBNPC1RAB9AL3MBTL1MAPT
SCHEMBL31538849 0.75 POLB (0.72) POLBNPC1RAB9AL3MBTL1MAPT

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 7 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
EP-0929299-A4 SUBSTITUTED 1,2,3,4-TETRAHYDRO-2-DIBENZOFURANAMINES AND 2-AMINOCYCLOHEPTA(b)BENZOFURANS LILLY CO ELI (US) 2000-12-20 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
EP-0929299-A1 SUBSTITUTED 1,2,3,4-TETRAHYDRO-2-DIBENZOFURANAMINES AND 2-AMINOCYCLOHEPTA(b)BENZOFURANS ELI LILLY AND COMPANY (US) 1999-07-21 EP 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
WO-1998008502-A1 SUBSTITUTED 1,2,3,4-TETRAHYDRO-2-DIBENZOFURANAMINES AND 2-AMINOCYCLOHEPTA[b]BENZOFURANS ELI LILLY AND COMPANY (US) 1998-03-05 WO disclosed