SCHEMBL5887382

SCHEMBL5887382

Cc1ccc(C2=C(Cl)C(Br)=C(c3cccc(C)c3)C[CH]2)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.35
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
FYN P06241 1/20 0.33
CLK4 Q9HAZ1 1/20 0.33
DYRK1B Q9Y463 1/20 0.33
MAPT P10636 3/20 0.33
THRB P10828 1/20 0.33
PGR P06401 1/20 0.33
AKR1C2 P52895 1/20 0.33
AKR1C1 Q04828 1/20 0.33
ALDH1A1 P00352 2/20 0.33
MAPK1 P28482 1/20 0.33
CNR1 P21554 1/20 0.32
PARP10 Q53GL7 1/20 0.32
PARP11 Q9NR21 1/20 0.32
KDM4E B2RXH2 2/20 0.32
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
GAA P10253 1/20 0.32

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
SCHEMBL5887404 0.81 L3MBTL1 (0.40) L3MBTL1MEN1KMT2AFYNCLK4
SCHEMBL5887672 0.71 ESR2 (0.40) PGRPARP10PARP11SMN1; SMN2
SCHEMBL6047624 0.70 ESR1 (0.35) L3MBTL1MEN1KMT2AMAPTALDH1A1
SCHEMBL5887587 0.69 ESR1 (0.33) L3MBTL1MEN1KMT2AMAPTALDH1A1
SCHEMBL4802233 0.69 ESR1 (0.40) MAPTALDH1A1KDM4ENPC1RAB9A
SCHEMBL5887570 0.68 ALKBH3 (0.44) L3MBTL1CLK4MAPTALDH1A1KDM4E
SCHEMBL23003863 0.65 ACHE (0.55) L3MBTL1MEN1KMT2AFYNCLK4
SCHEMBL29929976 0.65 ACHE (0.55) L3MBTL1MEN1KMT2AFYNCLK4
SCHEMBL5545442 0.65 ACHE (0.55) L3MBTL1MEN1KMT2AFYNCLK4
SCHEMBL25948043 0.65 ACHE (0.55) L3MBTL1MEN1KMT2AFYNCLK4

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