SCHEMBL6962537

SCHEMBL6962537

C[C@@H](NC1CCC(=NO)CC1)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.43
KMT2A Q03164 5/20 0.41
ALDH1A1 P00352 5/20 0.39
MEN1 O00255 3/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
MAPT P10636 3/20 0.39
POLB P06746 2/20 0.39
LMNA P02545 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
PHLPP2 Q6ZVD8 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
NPSR1 Q6W5P4 1/20 0.37
SLC6A3 Q01959 1/20 0.37
CRHBP P24387 1/20 0.37
CRHR2 Q13324 1/20 0.37
KDM4E B2RXH2 1/20 0.37
NPC1 O15118 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
Hydrochloric Acid SCHEMBL6957801 0.99 GAA (0.43) GAAKMT2AALDH1A1MEN1L3MBTL1
SCHEMBL6953679 0.84 GAA (0.44) GAAKMT2AALDH1A1MEN1L3MBTL1
SCHEMBL6955823 0.84 GAA (0.44) GAAKMT2AALDH1A1MEN1L3MBTL1
SCHEMBL6949659 0.83 POLB (0.54) GAAKMT2AALDH1A1MEN1L3MBTL1
SCHEMBL16968736 0.81 GAA (0.57) GAAKMT2AALDH1A1MEN1L3MBTL1
SCHEMBL6959454 0.79 MAOB (0.39) GAAKMT2AALDH1A1MEN1L3MBTL1
SCHEMBL6959447 0.79 MAOB (0.39) GAAKMT2AALDH1A1MEN1L3MBTL1
SCHEMBL9359482 0.76 MTNR1A (0.44) GAAKMT2AMEN1L3MBTL1CRHBP
SCHEMBL31455053 0.76 MAPT (0.55) GAAKMT2AALDH1A1MEN1MAPT
SCHEMBL8110023 0.69 GABRP (0.35) GAAKMT2AALDH1A1MEN1L3MBTL1

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