SCHEMBL8911396

SCHEMBL8911396

CCCN1C(=S)C(Cc2ccccc2)(N2CCN(c3ccc(Cl)cc3)CC2)C(=S)Nc2ccccc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 3/20 0.40
SIGMAR1 Q99720 2/20 0.39
DRD2 P14416 4/20 0.37
HTR7 P34969 5/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
DRD3 P35462 2/20 0.36
DRD5 P21918 1/20 0.36
KDM4E B2RXH2 1/20 0.35
GAA P10253 1/20 0.35
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
CETP P11597 3/20 0.35
MEN1 O00255 1/20 0.35
MAPT P10636 1/20 0.35
KMT2A Q03164 1/20 0.35
ADRA1A P35348 2/20 0.34
ADRA1D P25100 1/20 0.34
ADRA1B P35368 1/20 0.34
HTR2A P28223 2/20 0.34
HTR6 P50406 2/20 0.34

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
SCHEMBL8910776 0.91 HTR7 (0.42) DRD4SIGMAR1DRD2HTR7DRD3
SCHEMBL8910318 0.84 HTR7 (0.43) DRD4SIGMAR1DRD2HTR7L3MBTL1
SCHEMBL8910772 0.74 DRD4 (0.37) DRD4DRD2HTR7KDM4EMEN1
SCHEMBL8910314 0.67 DRD4 (0.41) DRD4HTR7KDM4EGAAMEN1
SCHEMBL13079491 0.62 KDM4E (0.78) DRD4SIGMAR1DRD2DRD3DRD5
SCHEMBL588149 0.60 DRD4 (1.00) DRD4SIGMAR1DRD2HTR7L3MBTL1
SCHEMBL1319781 0.59 SIGMAR1 (0.46) SIGMAR1HTR7MEN1MAPTKMT2A
SCHEMBL29715804 0.59 KDM4E (0.71) DRD4SIGMAR1DRD2DRD3DRD5
SCHEMBL3453669 0.58 DRD2 (1.00) DRD4SIGMAR1DRD2DRD3MEN1
SCHEMBL7606468 0.58 MAPT (0.57) DRD4SIGMAR1DRD2L3MBTL1DRD3

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
US-5683998-A ANTIINFLAMMATORY AGENTS, ANTIALLERGENS, ANTIPAF AGENTS TORAY INDUSTRIES, INC. (JP) 1997-11-04 US disclosed