SCHEMBL27656331

SCHEMBL27656331

CC(C)(C)C(=O)Oc1ccc2cccc(N3CCNCC3)c2c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR5A P47898 3/20 0.60
HTR1A P08908 10/20 0.50
HTR1D P28221 8/20 0.50
HTR1B P28222 8/20 0.50
HTR6 P50406 3/20 0.50
HTR3E A5X5Y0 2/20 0.50
HTR3B O95264 2/20 0.50
HTR3A P46098 2/20 0.50
HTR3D Q70Z44 2/20 0.50
HTR3C Q8WXA8 2/20 0.50
SIGMAR1 Q99720 2/20 0.50
CYP1A2 P05177 2/20 0.50
HSD17B10 Q99714 2/20 0.50
CYP2D6 P10635 1/20 0.50
NCF1 P14598 1/20 0.50
TSHR P16473 1/20 0.50
NFKB1 P19838 1/20 0.50
HTR2A P28223 1/20 0.50
HTR7 P34969 1/20 0.50
MTOR P42345 1/20 0.50

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
SCHEMBL27635274 0.91 HTR6 (0.50) HTR5AHTR1AHTR1DHTR1BHTR6
SCHEMBL27836118 0.81 ADRB1 (0.60) HTR1AHTR1DHTR6HTR3EHTR3B
SCHEMBL1738849 0.80 HTR5A (0.63) HTR5AHTR1AHTR1DHTR1BHTR6
Hydrochloric Acid SCHEMBL5253513 0.79 HTR5A (0.62) HTR5AHTR1AHTR1DHTR1BHTR6
SCHEMBL27605977 0.78 HTR3E (0.44) HTR1AHTR3EHTR3BHTR3AHTR3D
SCHEMBL27635277 0.78 HTR6 (0.48) HTR5AHTR1AHTR1DHTR1BHTR6
SCHEMBL28754396 0.77 NCF1 (0.55) HTR1AHTR1DHTR1BHTR6NCF1
SCHEMBL27674608 0.77 HTR3E (0.43) HTR1AHTR1DHTR1BHTR3EHTR3B
Tert-Butyl Formate SCHEMBL27656332 0.76 HTR5A (0.73) HTR5AHTR1AHTR1DHTR1BHTR6
SCHEMBL31185637 0.76 HTR5A (1.00) HTR5AHTR1AHTR1DHTR1BHTR6

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
CN-100422181-C [1,8] naphthyridin-2-ones and related compounds for the treatment of schizophrenia WARNER LAMBERT CO (US) 2008-10-01 CN disclosed
CN-1839134-A [1,8]naphthyridin-2-ones and related compounds for the treatment of schizophrenia WARNER LAMBERT CO (US) 2006-09-27 CN disclosed