SCHEMBL16585481

SCHEMBL16585481

CN(C(=O)C1CCC(CNC(=O)OCc2ccccc2)CC1)c1ccncc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.46
CYP2D6 P10635 4/20 0.45
CYP2C9 P11712 4/20 0.45
GRIN2B Q13224 2/20 0.45
ALDH1A1 P00352 3/20 0.43
GAA P10253 1/20 0.43
CYP3A4 P08684 4/20 0.42
TSHR P16473 2/20 0.42
CYP1A2 P05177 2/20 0.42
CYP2C19 P33261 2/20 0.42
MEN1 O00255 1/20 0.42
MAPT P10636 1/20 0.42
KMT2A Q03164 1/20 0.42
GHSR Q92847 1/20 0.41
F13A1 P00488 1/20 0.41
TGM2 P21980 1/20 0.41
TGM1 P22735 1/20 0.41
TNK2 Q07912 2/20 0.41
PREP P48147 2/20 0.40
MAPK1 P28482 1/20 0.40

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
SCHEMBL1553438 1.00 POLB (0.46) POLBCYP2D6CYP2C9GRIN2BALDH1A1
Oxalic Acid SCHEMBL7332882 0.98 CYP2D6 (0.44) POLBCYP2D6CYP2C9GRIN2BALDH1A1
SCHEMBL6475964 0.82 ALDH1A1 (0.47) CYP2D6CYP2C9ALDH1A1GAACYP3A4
SCHEMBL6475969 0.82 ALDH1A1 (0.47) CYP2D6CYP2C9ALDH1A1GAACYP3A4
SCHEMBL5469953 0.80 ALDH1A1 (0.51) POLBCYP2D6CYP2C9GRIN2BALDH1A1
SCHEMBL5469955 0.80 ALDH1A1 (0.51) POLBCYP2D6CYP2C9GRIN2BALDH1A1
SCHEMBL1554396 0.80 POLB (0.60) POLBCYP2D6CYP2C9GRIN2BALDH1A1
SCHEMBL1554397 0.80 POLB (0.60) POLBCYP2D6CYP2C9GRIN2BALDH1A1
SCHEMBL8393648 0.80 LMNA (0.58) CYP2D6CYP2C9ALDH1A1GAACYP3A4
SCHEMBL6483802 0.79 ALDH1A1 (0.53) CYP2D6CYP2C9ALDH1A1GAACYP3A4

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-3039126-A2 SMALL MOLECULE CELLULAR REPROGRAMMING TO GENERATE NEURONAL CELLS The J. David Gladstone Institutes, A Testamentary Trust Established under The Will of J. David Gladstone (US) 2016-07-06 EP disclosed
WO-2015041809-A2 SMALL MOLECULE CELLULAR REPROGRAMMING TO GENERATE NEURONAL CELLS THE J. DAVID GLADSTONE INSTITUTES, A TESTAMENTARY TRUST ESTABLISHED UNDER THE WILL OF J. DAVID GLADSTONE (US) 2015-03-26 WO disclosed