SCHEMBL2009362

SCHEMBL2009362

CC[C@@](c1cccc(NC(=O)C(F)(F)F)c1)(C(C)C)N(C)C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.50
TP53 P04637 2/20 0.47
LMNA P02545 2/20 0.47
GAA P10253 1/20 0.47
CYP3A4 P08684 5/20 0.46
CYP2C19 P33261 4/20 0.46
CYP2C9 P11712 4/20 0.46
ALDH1A1 P00352 4/20 0.46
SMN1; SMN2 Q16637 4/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
CYP1A2 P05177 1/20 0.46
POLB P06746 1/20 0.46
HPGD P15428 1/20 0.45
HDAC3 O15379 1/20 0.44
HDAC4 P56524 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC7 Q8WUI4 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC10 Q969S8 1/20 0.44

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
SCHEMBL12099374 0.76 L3MBTL1 (0.43) L3MBTL1TP53LMNAGAACYP3A4
SCHEMBL12099371 0.76 L3MBTL1 (0.43) L3MBTL1TP53LMNAGAACYP3A4
SCHEMBL19072757 0.76 L3MBTL1 (0.43) L3MBTL1TP53LMNAGAACYP3A4
SCHEMBL12099375 0.76 L3MBTL1 (0.43) L3MBTL1TP53LMNAGAACYP3A4
SCHEMBL13154802 0.74 L3MBTL1 (0.66) L3MBTL1TP53GAACYP3A4CYP2C19
SCHEMBL2883710 0.74 MAPT (0.68) L3MBTL1TP53LMNAGAAALDH1A1
SCHEMBL15601887 0.73 HDAC3 (0.72) L3MBTL1LMNAGAAALDH1A1SMN1; SMN2
SCHEMBL669382 0.73 OPRM1 (0.43) LMNACYP3A4ALDH1A1RAB9A
SCHEMBL12015811 0.73 L3MBTL1 (0.64) L3MBTL1GAACYP2C19CYP2C9ALDH1A1
SCHEMBL2588173 0.73 OPRM1 (0.43) LMNACYP3A4ALDH1A1RAB9A

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
EP-2507203-A1 NEW PROCESS FOR THE PREPARATION OF TAPENTADOL AND INTERMEDIATES THEREOF Euticals S.P.A. (IT) 2012-10-10 EP disclosed
WO-2011067714-A1 NEW PROCESS FOR THE PREPARATION OF TAPENTADOL AND INTERMEDIATES THEREOF ARCHIMICA SRL (IT) 2011-06-09 WO disclosed