SCHEMBL10837230

SCHEMBL10837230

O=C1CCc2c(/C=C/CN3CCN(c4ccccc4)CC3)cccc2N1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.52
▸ DRD2 P14416 7/20 0.43
▸ DRD3 P35462 4/20 0.43
▸ DRD4 P21917 3/20 0.43
▸ SCN1A P35498 1/20 0.41
▸ SCN5A Q14524 1/20 0.41
▸ SCN9A Q15858 1/20 0.41
▸ HTR7 P34969 5/20 0.40
▸ HTR1A P08908 2/20 0.39
▸ HTR1D P28221 1/20 0.39
▸ HTR1B P28222 1/20 0.39
▸ SLC6A4 P31645 1/20 0.39
▸ KCNH2 Q12809 1/20 0.39
▸ PARP1 P09874 1/20 0.39
▸ SIGMAR1 Q99720 4/20 0.39
▸ HTR2A P28223 2/20 0.39
▸ HTR2C P28335 1/20 0.39
▸ HTR2B P41595 1/20 0.39
▸ HTR6 P50406 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
SCHEMBL10836531 1.00 KDM4E (0.52) KDM4EDRD2DRD3DRD4SCN1A
SCHEMBL10837555 0.78 DRD2 (0.50) KDM4EDRD2DRD3DRD4HTR7
SCHEMBL10837548 0.78 DRD2 (0.50) KDM4EDRD2DRD3DRD4HTR7
SCHEMBL10836497 0.74 DRD2 (0.60) DRD2HTR7HTR1AHTR1DHTR1B
SCHEMBL10838043 0.74 SCN1A (0.47) KDM4EDRD2DRD3DRD4SCN1A
SCHEMBL7284843 0.74 DRD2 (0.47) KDM4EDRD2DRD3HTR1AHTR1D
Hydrochloric Acid SCHEMBL10838026 0.73 DRD2 (0.59) DRD2HTR7HTR1AHTR1DHTR1B
SCHEMBL10570129 0.73 DRD2 (0.55) DRD2DRD3DRD4SCN1ASCN5A
SCHEMBL10835787 0.72 HTR1A (0.48) DRD2DRD3DRD4SCN1ASCN5A
SCHEMBL10570148 0.72 DRD2 (0.59) DRD2DRD3DRD4HTR7HTR1A

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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