SCHEMBL10836259

SCHEMBL10836259

O=C1CCc2c(cccc2C(=O)CCN2CCN(c3ccccc3O)CC2)N1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR1A P08908 10/20 0.53
▸ DRD2 P14416 3/20 0.51
▸ SCN1A P35498 1/20 0.48
▸ SCN5A Q14524 1/20 0.48
▸ SCN9A Q15858 1/20 0.48
▸ DRD3 P35462 2/20 0.47
▸ DRD4 P21917 1/20 0.47
▸ HTR1D P28221 4/20 0.45
▸ HTR1B P28222 2/20 0.45
▸ SLC6A4 P31645 2/20 0.45
▸ KCNH2 Q12809 2/20 0.45
▸ ADRA1B P35368 1/20 0.43
▸ ADRA1A P35348 1/20 0.43
▸ ADRA1D P25100 1/20 0.43
▸ HTR2A P28223 2/20 0.42
▸ HTR2C P28335 2/20 0.42
▸ HTR7 P34969 2/20 0.42
▸ HTR2B P41595 2/20 0.42
▸ HTR5A P47898 2/20 0.42
▸ HTR6 P50406 2/20 0.42

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
SCHEMBL10836233 0.90 HTR1A (0.56) HTR1ADRD2SCN1ASCN5ASCN9A
SCHEMBL10835787 0.86 HTR1A (0.48) HTR1ADRD2SCN1ASCN5ASCN9A
Hydrochloric Acid SCHEMBL10837514 0.85 DRD2 (0.51) HTR1ADRD2SCN1ASCN5ASCN9A
SCHEMBL10838437 0.85 DRD2 (0.55) HTR1ADRD2SCN1ASCN5ASCN9A
Hydrochloric Acid SCHEMBL10835643 0.84 DRD2 (0.54) HTR1ADRD2SCN1ASCN5ASCN9A
SCHEMBL11303471 0.79 DRD2 (0.55) DRD2SCN1ASCN5ASCN9ADRD3
SCHEMBL10836177 0.77 S1PR1 (0.44) HTR1ADRD2DRD3DRD4HTR1D
Water SCHEMBL10836253 0.76 S1PR1 (0.43) HTR1ADRD2DRD3DRD4HTR1D
Hydrochloric Acid SCHEMBL10837925 0.76 S1PR1 (0.43) HTR1ADRD2DRD3DRD4HTR1D
SCHEMBL11290166 0.76 HTR1A (0.52) HTR1ADRD2DRD3DRD4SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4619932-A CENTRAL NERVOUS SYSTEM CONTROLLERS; ANTI-SCHIZOPHRENIA AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1986-10-28 — — US disclosed
US-4567187-A CENTRAL NERVOUS SYSTEM OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1986-01-28 — — US disclosed
US-4460593-A Carbostyril derivatives, and central nervous system controlling agents containing the carbostyril derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1984-07-17 — — US disclosed
US-4455422-A ANTIHISTAMINES, CNS CONTROLLERS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1984-06-19 — — US disclosed
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