SCHEMBL13080698

SCHEMBL13080698

CC(C)C[C@@H](O)C(=O)N1CCN(c2nc(-c3ccccc3)nc3ccc(F)cc23)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
GAA P10253 1/20 0.46
HPGD P15428 1/20 0.46
GBA1 P04062 4/20 0.45
MAPT P10636 1/20 0.44
KDM4E B2RXH2 1/20 0.44
STAT6 P42226 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
PIK3CA P42336 1/20 0.44
NTSR1 P30989 1/20 0.43
ACP1 P24666 2/20 0.43
PRNP P04156 2/20 0.43
ABCG2 Q9UNQ0 3/20 0.42
TDP1 Q9NUW8 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
ALDH1A1 P00352 1/20 0.41
TSHR P16473 1/20 0.41
LMNA P02545 1/20 0.41
ACHE P22303 1/20 0.41

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
SCHEMBL1623364 0.89 MEN1 (0.48) MEN1KMT2AGAAHPGDGBA1
SCHEMBL1623361 0.89 MEN1 (0.48) MEN1KMT2AGAAHPGDGBA1
Hydrochloric Acid SCHEMBL1623198 0.88 MEN1 (0.48) MEN1KMT2AGAAHPGDMAPT
Hydrochloric Acid SCHEMBL1623195 0.88 MEN1 (0.48) MEN1KMT2AGAAHPGDMAPT
SCHEMBL13080736 0.88 ACP1 (0.57) MEN1KMT2AGBA1MAPTKDM4E
SCHEMBL13080669 0.88 ACP1 (0.57) MEN1KMT2AGBA1MAPTKDM4E
SCHEMBL13080673 0.88 GBA1 (0.44) MEN1KMT2AGAAHPGDGBA1
SCHEMBL13080697 0.86 CYP1A2 (0.49) HPGDGBA1MAPTKDM4ESTAT6
SCHEMBL13080682 0.86 ACP1 (0.46) GBA1MAPTKDM4ESTAT6NPSR1
SCHEMBL13080699 0.85 GBA1 (0.47) MEN1KMT2AGBA1MAPTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8283354-B2 Voltage gated sodium and calcium channel inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-10-09 US disclosed