SCHEMBL9726230

SCHEMBL9726230

ClCCCCN1SN2CCCc3cccc1c32

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 3/20 0.34
HTR2A P28223 2/20 0.34
HTR1A P08908 1/20 0.34
HTR7 P34969 1/20 0.34
HTR6 P50406 1/20 0.34
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
ALDH1A1 P00352 2/20 0.34
HRH3 Q9Y5N1 1/20 0.34
DRD1 P21728 2/20 0.32
DRD3 P35462 2/20 0.32
GRIN2B Q13224 1/20 0.32
CES1 P23141 2/20 0.31
HTR2C P28335 1/20 0.31
ALOX12 P18054 1/20 0.31
MAPT P10636 1/20 0.31
MAPK1 P28482 1/20 0.31
SIGMAR1 Q99720 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
TSHR P16473 1/20 0.30

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
SCHEMBL11045883 0.70 ALDH1A1 (0.62) DRD2MEN1KMT2AALDH1A1DRD3
SCHEMBL9726221 0.69 HTR2A (0.64) DRD2HTR2AHTR1AHTR7HTR6
SCHEMBL5638347 0.65 ALDH1A1 (0.64) DRD2MEN1KMT2AALDH1A1DRD3
SCHEMBL9726206 0.65 HTR2A (0.62) DRD2HTR2AHTR1AHTR7HTR6
SCHEMBL24327019 0.64 ALDH1A1 (0.33) ALDH1A1MAPTMAPK1SMN1; SMN2
SCHEMBL31256046 0.62 HTR2A (0.66) DRD2HTR2AHTR1AHTR7HTR6
SCHEMBL7793840 0.61 HTR2A (0.59) DRD2HTR2AHTR1AHTR7HTR6
SCHEMBL11183187 0.61 ALDH1A1 (0.68) DRD2MEN1KMT2AALDH1A1DRD3
SCHEMBL1763849 0.61 MEN1 (0.58) DRD2MEN1KMT2ADRD3GRIN2B
SCHEMBL19122704 0.61 CES1 (0.53) MEN1KMT2AALDH1A1CES1HTR2C

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-5130313-A Central nervous system disorders, cardiovascular disorders or gastrointestinal disorders RHONE-POULENC SANTE (FR) 1992-07-14 US disclosed