SCHEMBL11290166

SCHEMBL11290166

O=C1CCc2c(cccc2C(=O)CCCN2CCN(c3ccc(F)cc3)CC2)N1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR1A P08908 7/20 0.52
▸ DRD4 P21917 6/20 0.52
▸ DRD2 P14416 5/20 0.52
▸ HTR2A P28223 5/20 0.52
▸ DRD3 P35462 5/20 0.52
▸ HTR2C P28335 3/20 0.52
▸ HRH1 P35367 3/20 0.52
▸ ABCB1 P08183 1/20 0.48
▸ CHRM1 P11229 1/20 0.48
▸ DRD1 P21728 1/20 0.48
▸ SLC6A4 P31645 1/20 0.48
▸ HTR2B P41595 1/20 0.48
▸ HTR6 P50406 1/20 0.48
▸ SLC6A3 Q01959 1/20 0.48
▸ TMEM97 Q5BJF2 1/20 0.48
▸ SIGMAR1 Q99720 1/20 0.48
▸ HTR7 P34969 5/20 0.47
▸ KDM4E B2RXH2 1/20 0.45
▸ LMNA P02545 1/20 0.45
▸ MAPK1 P28482 1/20 0.45

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
SCHEMBL10835787 0.85 HTR1A (0.48) HTR1ADRD4DRD2DRD3HTR7
SCHEMBL10836177 0.81 S1PR1 (0.44) HTR1ADRD4DRD2HTR2ADRD3
Hydrochloric Acid SCHEMBL10837925 0.81 S1PR1 (0.43) HTR1ADRD4DRD2HTR2ADRD3
Water SCHEMBL10836253 0.81 S1PR1 (0.43) HTR1ADRD4DRD2HTR2ADRD3
SCHEMBL10838043 0.78 SCN1A (0.47) DRD4DRD2DRD3KDM4E
SCHEMBL10836233 0.76 HTR1A (0.56) HTR1ADRD4DRD2HTR2ADRD3
SCHEMBL10836259 0.76 HTR1A (0.53) HTR1ADRD4DRD2HTR2ADRD3
Hydrochloric Acid SCHEMBL10837514 0.74 DRD2 (0.51) HTR1ADRD4DRD2HTR2ADRD3
SCHEMBL10838437 0.74 DRD2 (0.55) HTR1ADRD4DRD2HTR2ADRD3
SCHEMBL11832182 0.73 DRD2 (0.88) HTR1ADRD4DRD2HTR2ADRD3

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-57142972-A — — None — — JP disclosed
JP-S57142972-A CARBOSTYRIL DERIVATIVE OTSUKA PHARMACEUT CO LTD 1982-09-03 — — JP disclosed
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