SCHEMBL9602732

SCHEMBL9602732

CCCCOC(=O)C1CC(CP(=O)(O)O)CCN1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.58
KMT2A Q03164 2/20 0.58
ALDH1A1 P00352 1/20 0.58
CYP1A2 P05177 1/20 0.58
THRB P10828 1/20 0.58
ALOX15 P16050 1/20 0.58
CYP2C19 P33261 1/20 0.58
GRIN2D O15399 1/20 0.58
GRIN3B O60391 1/20 0.58
GRIA1 P42261 1/20 0.58
GRIA2 P42262 1/20 0.58
GRIA3 P42263 1/20 0.58
GRIA4 P48058 1/20 0.58
GRIN1 Q05586 1/20 0.58
GRIN2A Q12879 1/20 0.58
GRIN2B Q13224 1/20 0.58
GRIN2C Q14957 1/20 0.58
GRIN3A Q8TCU5 1/20 0.58
KDM4E B2RXH2 1/20 0.38
DRD3 P35462 1/20 0.37

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
SCHEMBL9602729 1.00 MEN1 (0.58) MEN1KMT2AALDH1A1CYP1A2THRB
SCHEMBL9602739 1.00 MEN1 (0.58) MEN1KMT2AALDH1A1CYP1A2THRB
SCHEMBL9603120 0.92 MEN1 (0.61) MEN1KMT2AALDH1A1CYP1A2THRB
SCHEMBL9603123 0.92 MEN1 (0.61) MEN1KMT2AALDH1A1CYP1A2THRB
SCHEMBL9603114 0.92 MEN1 (0.61) MEN1KMT2AALDH1A1CYP1A2THRB
SCHEMBL9603119 0.87 MEN1 (0.64) MEN1KMT2AALDH1A1CYP1A2THRB
SCHEMBL9603127 0.87 MEN1 (0.64) MEN1KMT2AALDH1A1CYP1A2THRB
SCHEMBL9603122 0.87 MEN1 (0.64) MEN1KMT2AALDH1A1CYP1A2THRB
SCHEMBL8292099 0.82 MEN1 (0.62) MEN1KMT2AALDH1A1CYP1A2THRB
SCHEMBL21182368 0.82 DRD3 (0.38) MEN1KMT2AALDH1A1CYP1A2THRB

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 6 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
EP-0203891-B1 CERTAIN PHOSPHONIC ACIDS AND DERIVATIVES CIBA-GEIGY AG (CH) 1991-05-15 EP 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
EP-0203891-A2 Certain phosphonic acids and derivatives CIBA-GEIGY AG (CH) 1986-12-03 EP disclosed