SCHEMBL6506569

SCHEMBL6506569

Clc1[c]ccc(OCC2CC2)c1Cl

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 1/20 0.38
HTR2C P28335 4/20 0.38
HTR2B P41595 2/20 0.38
KMO O15229 2/20 0.36
HPGD P15428 2/20 0.36
SLC6A4 P31645 1/20 0.35
HTR6 P50406 1/20 0.35
HSD11B1 P28845 1/20 0.34
FFAR4 Q5NUL3 1/20 0.34
ACACB O00763 1/20 0.34
PARP15 Q460N3 1/20 0.33
PARP10 Q53GL7 1/20 0.33
PARP2 Q9UGN5 1/20 0.33
PDE5A O76074 1/20 0.33
PDE4A P27815 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE4C Q08493 1/20 0.33
PDE4D Q08499 1/20 0.33
DCPS Q96C86 1/20 0.33

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
SCHEMBL11824469 0.77
SCHEMBL5728945 0.76 L3MBTL1 (0.37) HPGD
SCHEMBL25182581 0.73 CSNK2A1 (0.40) HTR2CHTR2B
SCHEMBL6495679 0.71 CSNK2A1 (0.41) KMOHPGDSLC6A4HTR6PDE4A
SCHEMBL15056059 0.71 L3MBTL1 (0.36) HTR2CHTR2BHPGDACACB
SCHEMBL15067078 0.71 TSHR (0.40) HTR2CHTR2BHPGD
SCHEMBL3279020 0.71 CYP1A2 (0.41)
SCHEMBL16395512 0.71 PDE1A (0.32) PDE4D
SCHEMBL22683700 0.71 KMO (0.39) RIPK1HTR2CHTR2BKMOHPGD
SCHEMBL16395054 0.71 HPGD (0.38) HTR2CHTR2BHPGD

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
WO-2005016883-A2 ACRYLAMIDE DERIVATIVES AS VLA-1 INTEGRIN ANTAGONISTS AND USES THEREOF ICOS CORPORATION (US) 2005-02-24 WO disclosed