SCHEMBL8910776

SCHEMBL8910776

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

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 9/20 0.42
HTR2A P28223 4/20 0.40
HTR6 P50406 4/20 0.40
HTR1A P08908 4/20 0.40
DRD2 P14416 5/20 0.39
DRD3 P35462 2/20 0.39
DRD5 P21918 1/20 0.39
DRD4 P21917 3/20 0.38
SIGMAR1 Q99720 2/20 0.38
ADRA1A P35348 2/20 0.37
ADRA1D P25100 1/20 0.37
ADRA1B P35368 1/20 0.37
DRD1 P21728 1/20 0.36
HTR2C P28335 1/20 0.36
CXCR3 P49682 1/20 0.36
MEN1 O00255 1/20 0.36
MAPT P10636 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL8910318 0.92 HTR7 (0.43) HTR7HTR2AHTR6HTR1ADRD2
SCHEMBL8911396 0.91 DRD4 (0.40) HTR7HTR2AHTR6HTR1ADRD2
SCHEMBL8910772 0.84 DRD4 (0.37) HTR7DRD2DRD4CXCR3MEN1
SCHEMBL8910314 0.75 DRD4 (0.41) HTR7DRD4HTR2CCXCR3MEN1
SCHEMBL8911392 0.74 DRD4 (0.34) HTR1ADRD4CXCR3
SCHEMBL1319781 0.68 SIGMAR1 (0.46) HTR7HTR2AHTR6HTR1ASIGMAR1
SCHEMBL1322398 0.62 MAPT (0.49) HTR7HTR6HTR1ADRD2DRD3
SCHEMBL1321560 0.62 MDM2 (0.52) HTR7DRD2DRD3DRD4ADRA1A
SCHEMBL13079491 0.61 KDM4E (0.78) HTR2AHTR1ADRD2DRD3DRD5
SCHEMBL1320383 0.60 MDM2 (0.49) MAPTKMT2A

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