SCHEMBL10838656

SCHEMBL10838656

O=C1CCc2cc(C(O)CCN3CCC(Oc4ccccc4)CC3)ccc2N1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 5/20 0.51
KDM1A O60341 1/20 0.49
KCNH2 Q12809 3/20 0.45
DRD2 P14416 3/20 0.45
ADRA1D P25100 1/20 0.45
SLC6A4 P31645 1/20 0.45
ADRA1A P35348 1/20 0.45
ADRA1B P35368 1/20 0.45
MAOA P21397 1/20 0.43
MAOB P27338 1/20 0.43
HTR2A P28223 2/20 0.43
HTR1A P08908 1/20 0.43
HTR7 P34969 2/20 0.43
DRD4 P21917 1/20 0.41
DRD3 P35462 1/20 0.41

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
SCHEMBL10835876 0.85 GRIN2B (0.54) GRIN2BKDM1AKCNH2DRD2HTR2A
SCHEMBL8549343 0.85 GRIN2B (0.59) GRIN2BADRA1DADRA1AADRA1BMAOA
SCHEMBL10836282 0.82 ALDH1A1 (0.56) GRIN2BKCNH2DRD2HTR2AHTR1A
SCHEMBL9768289 0.82 GRIN2B (0.57) GRIN2BKDM1AKCNH2DRD2HTR2A
SCHEMBL10838660 0.81 GRIN2B (0.48) GRIN2BKDM1AKCNH2DRD2HTR2A
SCHEMBL15586378 0.81 DRD2 (0.51) KDM1ADRD2ADRA1DSLC6A4ADRA1A
SCHEMBL10836115 0.80 KCNH2 (0.66) GRIN2BKCNH2DRD2SLC6A4HTR2A
SCHEMBL8544337 0.79 GRIN2B (0.57) GRIN2BADRA1DADRA1AADRA1BMAOA
SCHEMBL8872102 0.79 GRIN2B (0.55) GRIN2BKCNH2DRD2ADRA1DADRA1A
SCHEMBL8547674 0.79 GRIN2B (0.55) GRIN2BKCNH2DRD2ADRA1DADRA1A

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