SCHEMBL9062557

SCHEMBL9062557

CCOC(OCC)P(=O)(O)C[C@@H](O)CNC(C)c1ccc(Cl)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.47
▸ KMT2A Q03164 3/20 0.47
▸ CYP2D6 P10635 1/20 0.47
▸ CYP2C9 P11712 1/20 0.47
▸ CYP2C19 P33261 1/20 0.47
▸ CYP1A2 P05177 2/20 0.45
▸ CYP3A4 P08684 1/20 0.45
▸ NPSR1 Q6W5P4 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ ANPEP P15144 1/20 0.38
▸ ALOX15 P16050 1/20 0.37
▸ HPGD P15428 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ APAF1 O14727 1/20 0.35
▸ EPHX1 P07099 1/20 0.35
▸ NPC1 O15118 2/20 0.35
▸ POLB P06746 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ THRB P10828 1/20 0.35

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
SCHEMBL9062551 1.00 MEN1 (0.47) MEN1KMT2ACYP2D6CYP2C9CYP2C19
SCHEMBL9062562 1.00 MEN1 (0.47) MEN1KMT2ACYP2D6CYP2C9CYP2C19
SCHEMBL9062853 0.88 CYP2D6 (0.62) MEN1KMT2ACYP2D6CYP2C9CYP2C19
SCHEMBL8751300 0.88 CYP2D6 (0.62) MEN1KMT2ACYP2D6CYP2C9CYP2C19
SCHEMBL8751267 0.88 CYP2D6 (0.62) MEN1KMT2ACYP2D6CYP2C9CYP2C19
SCHEMBL9062847 0.88 CYP2D6 (0.62) MEN1KMT2ACYP2D6CYP2C9CYP2C19
SCHEMBL8976321 0.88 CYP2D6 (0.62) MEN1KMT2ACYP2D6CYP2C9CYP2C19
SCHEMBL8751270 0.88 CYP2D6 (0.62) MEN1KMT2ACYP2D6CYP2C9CYP2C19
SCHEMBL8976491 0.88 CYP2D6 (0.62) MEN1KMT2ACYP2D6CYP2C9CYP2C19
SCHEMBL8976090 0.85 MEN1 (0.53) MEN1KMT2ACYP2D6CYP2C9CYP2C19

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0463560-B1 New antiepileptic agents CIBA GEIGY AG (CH) 1995-10-25 — — EP claimed
EP-0463560-A1 New antiepileptic agents CIBA-GEIGY AG (CH) 1992-01-02 — — EP claimed
US-5545631-A GAMMA-AMINOBUTYRIC ACID ANTAGONIST; TREATS PETIT-MAL TYPE EPILEPSIES CIBA-GEIGY CORPORATION (US) 1996-08-13 — — US disclosed
EP-0463560-B1 New antiepileptic agents CIBA GEIGY AG (CH) 1995-10-25 — — EP disclosed
US-5407922-A GABA antagonists CIBA-GEIGY CORPORATION (US) 1995-04-18 — — US disclosed
US-5229379-A Gamma-aminobutyric acid antagonists CIBA-GEIGY CORPORATION (US) 1993-07-20 — — US disclosed
EP-0463560-A1 New antiepileptic agents CIBA-GEIGY AG (CH) 1992-01-02 — — EP disclosed
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