SCHEMBL13080673

SCHEMBL13080673

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

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 6/20 0.44
MAPT P10636 1/20 0.43
PIK3CA P42336 1/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
GAA P10253 1/20 0.43
HPGD P15428 1/20 0.43
NTSR1 P30989 1/20 0.43
PRNP P04156 2/20 0.42
RAB9A P51151 1/20 0.42
TDP1 Q9NUW8 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ABCG2 Q9UNQ0 3/20 0.41
KDM4E B2RXH2 1/20 0.41
STAT6 P42226 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
ALDH1A1 P00352 1/20 0.41
TSHR P16473 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
SCHEMBL1623629 0.89 MEN1 (0.48) GBA1MAPTMEN1KMT2AGAA
SCHEMBL1623632 0.89 MEN1 (0.48) GBA1MAPTMEN1KMT2AGAA
Hydrochloric Acid SCHEMBL1621261 0.89 MEN1 (0.47) GBA1MAPTMEN1KMT2AGAA
Hydrochloric Acid SCHEMBL1621258 0.89 MEN1 (0.47) GBA1MAPTMEN1KMT2AGAA
SCHEMBL13080698 0.88 MEN1 (0.46) GBA1MAPTPIK3CAMEN1KMT2A
SCHEMBL13080696 0.88 GBA1 (0.46) GBA1MAPTPIK3CAMEN1KMT2A
SCHEMBL1623364 0.78 MEN1 (0.48) GBA1MAPTMEN1KMT2AGAA
SCHEMBL1623361 0.78 MEN1 (0.48) GBA1MAPTMEN1KMT2AGAA
SCHEMBL12721574 0.77 MEN1 (0.61) GBA1MAPTMEN1KMT2AGAA
SCHEMBL13080677 0.77 ABCG2 (0.57) GBA1MAPTMEN1KMT2ARAB9A

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