SCHEMBL10835787

SCHEMBL10835787

O=C1CCc2c(cccc2C(=O)CCN2CCN(c3ccccc3)CC2)N1

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ HTR1A P08908 8/20 0.48
▸ HTR7 P34969 5/20 0.48
▸ DRD2 P14416 3/20 0.47
▸ SCN1A P35498 1/20 0.46
▸ SCN5A Q14524 1/20 0.46
▸ SCN9A Q15858 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.45
▸ DRD4 P21917 1/20 0.44
▸ DRD3 P35462 1/20 0.44

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
SCHEMBL10838043 0.89 SCN1A (0.47) DRD2SCN1ASCN5ASCN9AALDH1A1
SCHEMBL10836233 0.86 HTR1A (0.56) HTR1AHTR7DRD2SCN1ASCN5A
SCHEMBL10836259 0.86 HTR1A (0.53) HTR1AHTR7DRD2SCN1ASCN5A
SCHEMBL10836177 0.85 S1PR1 (0.44) HTR1ADRD2DRD4DRD3
Water SCHEMBL10836253 0.85 S1PR1 (0.43) HTR1ADRD2DRD4DRD3
Hydrochloric Acid SCHEMBL10837925 0.85 S1PR1 (0.43) HTR1ADRD2DRD4DRD3
SCHEMBL11290166 0.85 HTR1A (0.52) HTR1AHTR7DRD2DRD4DRD3
SCHEMBL10836422 0.83 HTR1A (0.46) HTR1AHTR7DRD2ALDH1A1
Hydrochloric Acid SCHEMBL10837514 0.82 DRD2 (0.51) HTR1ADRD2SCN1ASCN5ASCN9A
SCHEMBL10838437 0.81 DRD2 (0.55) HTR1AHTR7DRD2SCN1ASCN5A

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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