SCHEMBL9359482

SCHEMBL9359482

CC(NC1CCc2ccccc2C1)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 4/20 0.44
MTNR1B P49286 4/20 0.44
GRIN2B Q13224 4/20 0.44
HDAC8 Q9BY41 1/20 0.42
GAA P10253 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CA1 P00915 2/20 0.41
CA2 P00918 1/20 0.41
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
CRHBP P24387 1/20 0.39
CRHR2 Q13324 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
RAB9A P51151 1/20 0.39

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
SCHEMBL17530032 0.82 GAA (0.60) MTNR1AMTNR1BGRIN2BGAAL3MBTL1
SCHEMBL17530027 0.82 GAA (0.60) MTNR1AMTNR1BGRIN2BGAAL3MBTL1
SCHEMBL7336815 0.82 GAA (0.60) MTNR1AMTNR1BGRIN2BGAAL3MBTL1
SCHEMBL6955823 0.80 GAA (0.44) GAAL3MBTL1CA1CRHBPCRHR2
SCHEMBL6953679 0.80 GAA (0.44) GAAL3MBTL1CA1CRHBPCRHR2
SCHEMBL8522066 0.80 CACNA1G (0.39) CRHBPCRHR2
SCHEMBL16968736 0.77 GAA (0.57) GAAL3MBTL1CRHBPCRHR2MEN1
SCHEMBL6962537 0.76 GAA (0.43) GAAL3MBTL1CRHBPCRHR2MEN1
Hydrochloric Acid SCHEMBL6957801 0.75 GAA (0.43) GAAL3MBTL1CRHBPCRHR2MEN1
SCHEMBL8110023 0.73 GABRP (0.35) GAAL3MBTL1MAOACRHBPCRHR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0385658-B1 Ring-substituted 2-amino 1,2,3,4-tetra-hydronaphthalenes and 3-aminochromanes LILLY CO ELI (US) 1994-12-28 EP claimed