SCHEMBL9602233

SCHEMBL9602233

CCOC(=O)C1CC(CCO)CCN1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ARG1 P05089 1/20 0.43
DRD3 P35462 1/20 0.41
SLC6A3 Q01959 1/20 0.41
GRIN2D O15399 2/20 0.38
GRIN3B O60391 2/20 0.38
GRIN1 Q05586 2/20 0.38
GRIN2A Q12879 2/20 0.38
GRIN2B Q13224 2/20 0.38
GRIN2C Q14957 2/20 0.38
GRIN3A Q8TCU5 2/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
CYP1A2 P05177 1/20 0.38
THRB P10828 1/20 0.38
ALOX15 P16050 1/20 0.38
CYP2C19 P33261 1/20 0.38
KMT2A Q03164 1/20 0.38
GRIA1 P42261 1/20 0.38
GRIA2 P42262 1/20 0.38
GRIA3 P42263 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
SCHEMBL9602127 0.88 GRIN2D (0.40) ARG1DRD3SLC6A3GRIN2DGRIN3B
SCHEMBL6194188 0.86 GRIN2D (0.41) ARG1DRD3SLC6A3GRIN2DGRIN3B
SCHEMBL27434842 0.86 GRIN2D (0.41) ARG1DRD3SLC6A3GRIN2DGRIN3B
Hydrochloric Acid SCHEMBL6194183 0.84 CYP1A2 (0.40) ARG1DRD3SLC6A3GRIN2DGRIN3B
SCHEMBL9518643 0.84 ARG1 (0.45) ARG1DRD3SLC6A3GRIN2DGRIN3B
SCHEMBL9518656 0.84 ARG1 (0.45) ARG1DRD3SLC6A3GRIN2DGRIN3B
SCHEMBL9518650 0.84 ARG1 (0.45) ARG1DRD3SLC6A3GRIN2DGRIN3B
SCHEMBL7423444 0.84 ARG1 (0.40) ARG1DRD3SLC6A3GRIN2DGRIN3B
SCHEMBL7423438 0.84 ARG1 (0.40) ARG1DRD3SLC6A3GRIN2DGRIN3B
SCHEMBL7423429 0.84 ARG1 (0.40) ARG1DRD3SLC6A3GRIN2DGRIN3B

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-5217963-A Antiischemic, antiepileptic agent CIBA-GEIGY CORPORATION (US) 1993-06-08 US disclosed
US-5057506-A Anticonvulsants, antispasmodic and antischemic agents CIBA-GEIGY CORPORATION (US) 1991-10-15 US disclosed
US-4906621-A Certain 2-carboxypiperidyl-alkylene phosphonic acids and esters thereof useful for the treatment of disorders responsive to N-methyl-D-aspartate receptor blockade CIBA-GEIGY CORPORATION (US) 1990-03-06 US disclosed
US-4898854-A NERVOUS SYSTEM DISORDERS CIBA-GEIGY CORPORATION (US) 1990-02-06 US disclosed