SCHEMBL5599697

SCHEMBL5599697

Cc1ccc(CN2c3ccccc3C3(CCNCC3)[C@H]2S(=O)(=O)c2ccc(Cl)cc2)c(C)c1

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DRD1 P21728 2/20 0.35
DRD2 P14416 1/20 0.35
MAPT P10636 1/20 0.34
GUSB P08236 2/20 0.33
GNRHR P30968 1/20 0.33
KCNH2 Q12809 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
APP P05067 1/20 0.33
POLB P06746 1/20 0.32
TSHR P16473 1/20 0.32
HTR1A P08908 1/20 0.31
HTR3A P46098 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
SCHEMBL5779729 0.79 DRD2 (0.36) DRD1DRD2MAPTGNRHRKCNH2
SCHEMBL5779471 0.72 POLB (0.37) MAPTPOLBTSHRHTR1AHTR3A
SCHEMBL7151385 0.62 NPY5R (0.38) DRD2MAPT
SCHEMBL5592351 0.60 HDAC1 (0.42) DRD2GNRHRKCNH2HDAC1HDAC6
SCHEMBL7009460 0.60 HCRTR2 (0.34) MAPT
SCHEMBL16860861 0.58 NOTUM (0.36) GNRHRKCNH2
SCHEMBL20988941 0.58 MAPT (0.69) MAPT
SCHEMBL8328802 0.58 GNRHR (0.40) DRD2GNRHRKCNH2
SCHEMBL12189952 0.57 TNF (0.45) MAPTPOLBTSHR
SCHEMBL7013385 0.57 NPY5R (0.38) MAPTGNRHRKCNH2TSHR

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-2005063745-A9 NOVEL SPIROINDOLINE OR SPIROISOQUINOLINE COMPOUNDS, METHODS OF USE AND COMPOSITIONS THEREOF ARENA PHARM INC (US) 2007-02-01 WO claimed