SCHEMBL6993103

SCHEMBL6993103

O=C1CCN(Cc2ccccc2)C(=O)c2c1ccn2CC1CO1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.39
DDB1 Q16531 1/20 0.39
CRBN Q96SW2 1/20 0.39
PDE4A P27815 1/20 0.39
PDE4B Q07343 1/20 0.39
PDE4C Q08493 1/20 0.39
PDE4D Q08499 1/20 0.39
GRM5 P41594 1/20 0.38
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
MDM2 Q00987 1/20 0.38
CTDSP1 Q9GZU7 1/20 0.38
CSNK2A2 P19784 2/20 0.37
CSNK2B P67870 2/20 0.37
CSNK2A1 P68400 2/20 0.37
CSNK2A3 Q8NEV1 1/20 0.37
DHPS P49366 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
ABCB1 P08183 1/20 0.36
MAPK1 P28482 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
SCHEMBL6989705 0.80 L3MBTL1 (0.41) L3MBTL1DDB1CRBNPDE4APDE4B
SCHEMBL9041354 0.78 L3MBTL1 (0.39) L3MBTL1DDB1CRBNPDE4APDE4B
SCHEMBL6991433 0.78 L3MBTL1 (0.39) L3MBTL1DDB1CRBNPDE4APDE4B
SCHEMBL6988025 0.77 L3MBTL1 (0.39) L3MBTL1DDB1CRBNPDE4APDE4B
SCHEMBL6985753 0.77 L3MBTL1 (0.39) L3MBTL1DDB1CRBNPDE4APDE4B
SCHEMBL6987269 0.76 L3MBTL1 (0.38) L3MBTL1DDB1CRBNPDE4APDE4B
SCHEMBL6986608 0.76 L3MBTL1 (0.38) L3MBTL1DDB1CRBNPDE4APDE4B
SCHEMBL9181549 0.76 SIGMAR1 (0.49) KMT2AMEN1SIGMAR1
SCHEMBL6990656 0.75 ADRA1D (0.47) SIGMAR1
SCHEMBL7000263 0.74 MDM2 (0.39) L3MBTL1DDB1CRBNKMT2AMDM2

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-0551527-B1 PYRROLOAZEPINE DERIVATIVE SUNTORY LTD (JP) 2003-04-02 EP disclosed
US-5397780-A Antiserotonine, hypotensive, congestive heart failure SUNTORY LIMITED (JP) 1995-03-14 US disclosed
EP-0551527-A1 PYRROLOAZEPINE DERIVATIVE SUNTORY LIMITED (JP) 1993-07-21 EP disclosed