SCHEMBL7388511

SCHEMBL7388511

NCC1CN(c2ccc(Cl)cn2)C1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE10A Q9Y233 1/20 0.47
▸ DRD4 P21917 4/20 0.44
▸ HTR1A P08908 3/20 0.44
▸ HTR2A P28223 3/20 0.44
▸ HTR7 P34969 3/20 0.44
▸ DRD3 P35462 3/20 0.44
▸ SLC6A4 P31645 2/20 0.44
▸ CNR2 P34972 1/20 0.43
▸ DRD2 P14416 4/20 0.41
▸ HTR2C P28335 2/20 0.41
▸ HRH4 Q9H3N8 2/20 0.41
▸ DEGS1 O15121 1/20 0.40
▸ GPR119 Q8TDV5 1/20 0.39
▸ TMEM97 Q5BJF2 1/20 0.39
▸ SIGMAR1 Q99720 1/20 0.39
▸ RET P07949 1/20 0.38
▸ DPP4 P27487 1/20 0.38
▸ PREP P48147 1/20 0.38
▸ DPP8 Q6V1X1 1/20 0.38
▸ DPP7 Q9UHL4 1/20 0.38

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
Hydrochloric Acid SCHEMBL9005366 0.98 PDE10A (0.46) PDE10ADRD4HTR1AHTR2AHTR7
SCHEMBL4635254 0.78 PTPN11 (0.45) PDE10ADRD4HTR1AHTR2AHTR7
SCHEMBL12683431 0.77 CNR2 (0.46) PDE10ADRD4HTR1AHTR2AHTR7
SCHEMBL22129422 0.77 PDE10A (0.50) PDE10ADRD4HTR1AHTR2AHTR7
SCHEMBL22129474 0.77 PDE10A (0.46) PDE10ADRD4HTR1AHTR2AHTR7
SCHEMBL21262167 0.73 CHRNB2 (0.59) PDE10ADRD4HTR1AHTR2AHTR7
SCHEMBL21262008 0.73 CHRNB2 (0.59) PDE10ADRD4HTR1AHTR2AHTR7
SCHEMBL20283148 0.73 GRM4 (0.46) PDE10ADRD4HTR1AHTR2AHTR7
SCHEMBL22153203 0.73 PDE10A (0.46) PDE10ADRD4HTR1AHTR2AHTR7
SCHEMBL21135741 0.73 PDE10A (0.56) PDE10ADRD4CNR2DRD2DEGS1

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
EP-0591030-A2 1-Heteroaryl-azetidines and -pyrrolidines as 5-HT3 agonists SANOFI (FR) 1994-04-06 — — EP disclosed
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