SCHEMBL6991433

SCHEMBL6991433

O=C1CCN(Cc2ccccc2)C(=O)c2c1ccn2CCCBr

nearest known ligand 0.40

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
GRM5 P41594 1/20 0.39
KMT2A Q03164 3/20 0.38
MDM2 Q00987 1/20 0.38
CTDSP1 Q9GZU7 1/20 0.38
KCNH2 Q12809 1/20 0.38
GRM2 Q14416 1/20 0.38
DHPS P49366 1/20 0.37
PDE4A P27815 1/20 0.37
PDE4B Q07343 1/20 0.37
PDE4C Q08493 1/20 0.37
PDE4D Q08499 1/20 0.37
MAPK1 P28482 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
LMNA P02545 1/20 0.36
NCOA3 Q9Y6Q9 1/20 0.36
MEN1 O00255 2/20 0.36
CSNK2A2 P19784 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
SCHEMBL6988025 0.97 L3MBTL1 (0.39) L3MBTL1DDB1CRBNGRM5KMT2A
SCHEMBL6987269 0.95 L3MBTL1 (0.38) L3MBTL1DDB1CRBNGRM5KMT2A
SCHEMBL6986608 0.95 L3MBTL1 (0.38) L3MBTL1DDB1CRBNGRM5KMT2A
SCHEMBL6989705 0.93 L3MBTL1 (0.41) L3MBTL1DDB1CRBNGRM5KMT2A
SCHEMBL9041354 0.88 L3MBTL1 (0.39) L3MBTL1DDB1CRBNGRM5KMT2A
SCHEMBL6984315 0.83 HTR1A (0.49) KCNH2
SCHEMBL6990381 0.83 HTR1A (0.49) KCNH2
SCHEMBL6985753 0.83 L3MBTL1 (0.39) L3MBTL1DDB1CRBNGRM5KMT2A
SCHEMBL6988196 0.82 HTR1A (0.50) KCNH2
SCHEMBL6991218 0.82 HTR1A (0.50) KCNH2

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