SCHEMBL26136602

SCHEMBL26136602

Clc1nccc(OCc2ccccc2)c1C1CCC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 2/20 0.47
SLC6A2 P23975 2/20 0.47
SLC6A4 P31645 2/20 0.47
SLC6A3 Q01959 2/20 0.47
ALOX5AP P20292 1/20 0.43
FEN1 P39748 1/20 0.43
GRM2 Q14416 1/20 0.42
IGF1R P08069 3/20 0.41
MAPT P10636 1/20 0.41
MAPK1 P28482 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
LTA4H P09960 1/20 0.41
MAPK14 Q16539 1/20 0.41
HTR2C P28335 2/20 0.41
HTR2B P41595 2/20 0.41
KDM1A O60341 4/20 0.40
CNR1 P21554 1/20 0.40
CNR2 P34972 1/20 0.40
POLB P06746 1/20 0.39

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
SCHEMBL10819320 0.77 L3MBTL1 (0.61) HTR1AMAPTMAPK1TDP1L3MBTL1
SCHEMBL30013758 0.77 MAPK14 (0.49) HTR1AGRM2MAPTMAPK1TDP1
SCHEMBL23723738 0.77 MAPK14 (0.49) HTR1AGRM2MAPTMAPK1TDP1
SCHEMBL8320729 0.74 MAPK14 (0.46) HTR1AMAPTMAPK1TDP1L3MBTL1
SCHEMBL16094113 0.74 MAPK14 (0.49) HTR1AMAPTMAPK1TDP1L3MBTL1
SCHEMBL18399039 0.72 ALOX5AP (0.41) HTR1ASLC6A2SLC6A4SLC6A3ALOX5AP
SCHEMBL30666902 0.72 POLB (0.44) HTR1AMAPTMAPK1TDP1L3MBTL1
SCHEMBL30666961 0.72 MAPT (0.56) HTR1AMAPTMAPK1TDP1L3MBTL1
SCHEMBL17224562 0.72 MAPT (0.56) HTR1AMAPTMAPK1TDP1L3MBTL1
SCHEMBL2339072 0.72 LTA4H (0.64) HTR1AMAPTMAPK1TDP1L3MBTL1

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-2023193760-A1 COMPOUNDS AND METHODS OF TREATING CANCERS CULLGEN (SHANGHAI) , INC. (CN) 2023-10-12 WO disclosed