SCHEMBL10667225

SCHEMBL10667225

O=C1CCc2c(OCCCN3CCCN(c4ccccc4)CC3)ccc(Cl)c2N1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 7/20 0.49
▸ HTR1A P08908 7/20 0.47
▸ HTR2A P28223 5/20 0.47
▸ HTR7 P34969 1/20 0.47
▸ ADRA1A P35348 1/20 0.47
▸ DRD3 P35462 5/20 0.46
▸ TMEM97 Q5BJF2 2/20 0.46
▸ SIGMAR1 Q99720 2/20 0.46
▸ HRH1 P35367 1/20 0.46
▸ DRD1 P21728 2/20 0.46
▸ DRD4 P21917 2/20 0.46
▸ DRD5 P21918 2/20 0.46
▸ HTR2C P28335 2/20 0.46
▸ HTR2B P41595 2/20 0.46
▸ HRH3 Q9Y5N1 1/20 0.46

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
SCHEMBL10572030 0.88 HTR1A (0.51) DRD2HTR1AHTR2AHTR7DRD3
SCHEMBL10570468 0.85 DRD2 (0.52) DRD2HTR1AHTR2ADRD3TMEM97
SCHEMBL10570868 0.84 DRD2 (0.56) DRD2HTR1AHTR2AHTR7DRD3
SCHEMBL10570148 0.80 DRD2 (0.59) DRD2HTR1AHTR2AHTR7DRD3
Hydrochloric Acid SCHEMBL10569951 0.79 DRD2 (0.58) DRD2HTR1AHTR2AHTR7DRD3
Hydrochloric Acid SCHEMBL10569016 0.79 DRD2 (0.58) DRD2HTR1AHTR2AHTR7DRD3
SCHEMBL10571081 0.77 DRD2 (0.62) DRD2HTR1AHTR2AHTR7ADRA1A
SCHEMBL10570686 0.77 DRD2 (0.66) DRD2HTR1AHTR2AHTR7ADRA1A
SCHEMBL11244354 0.76 DRD3 (0.55) DRD2HTR1AHTR2AHTR7DRD3
SCHEMBL10569047 0.76 DRD2 (0.50) DRD2HTR1AHTR2AHTR7ADRA1A

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-4734416-A ANTIHISTAMINES, CENTRAL NERVOUS SYSTEM CONTROLLING ACTION OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1988-03-29 — — US disclosed
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