SCHEMBL5887311

SCHEMBL5887311

Cc1ccc(C2=C(c3cccc(C)c3)[CH]CC=C2Br)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.36
MEN1 O00255 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
ALDH1A1 P00352 2/20 0.34
MAPK1 P28482 1/20 0.34
SMN1; SMN2 Q16637 3/20 0.33
RAB9A P51151 3/20 0.33
GAA P10253 2/20 0.33
NPC1 O15118 2/20 0.33
KDM4E B2RXH2 1/20 0.33
MAPT P10636 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
FYN P06241 1/20 0.32
CLK4 Q9HAZ1 1/20 0.32
DYRK1B Q9Y463 1/20 0.32
NISCH Q9Y2I1 1/20 0.32
CHRNB4 P30926 1/20 0.32
CHRNA3 P32297 1/20 0.32
USP2 O75604 1/20 0.32
ACHE P22303 1/20 0.31

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
SCHEMBL5887353 0.80 MEN1 (0.35) KMT2AMEN1L3MBTL1SMN1; SMN2RAB9A
SCHEMBL5887149 0.79 AR (0.38) KMT2AMEN1L3MBTL1FYNCLK4
SCHEMBL5887199 0.71 KMT2A (0.35) KMT2AMEN1L3MBTL1ALDH1A1MAPK1
SCHEMBL4799356 0.71 ALDH1A1 (0.34) ALDH1A1ACHE
SCHEMBL5887285 0.70 ALKBH3 (0.44) KMT2AMEN1L3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL6047649 0.69 L3MBTL1 (0.38) KMT2AMEN1L3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL5887105 0.69 ESR2 (0.35) SMN1; SMN2NPC1MAPTTP53
SCHEMBL5887580 0.68 ESR2 (0.35) SMN1; SMN2PGRHSD17B1HSD17B2
SCHEMBL23003863 0.67 ACHE (0.55) KMT2AMEN1L3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL5545442 0.67 ACHE (0.55) KMT2AMEN1L3MBTL1ALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7037931-B2 Corticotropin releasing factor moderator; analgesics; drug abruse, drug dependency; schizophrenia JANSSEN PHARMACEUTICA N.V. (BE) 2006-05-02 US claimed
JP-2006501194-A 2006-01-12 JP claimed
EP-1525190-A1 CCK-1 RECEPTOR MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2005-04-27 EP claimed
WO-2004007463-A1 CCK-1 RECEPTOR MODULATORS JANSSEN PHARMACEUTICA, N.V. (BE) 2004-01-22 WO claimed