SCHEMBL16993451

SCHEMBL16993451

CC(C)(C)OC(=O)N[C@]1(CCO)CCNC1

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.36
P2RX7 Q99572 1/20 0.33
CTSL P07711 1/20 0.32
MEN1 O00255 1/20 0.31
MAPK1 P28482 1/20 0.31
KMT2A Q03164 1/20 0.31
APLNR P35414 1/20 0.31
AKT1 P31749 1/20 0.30

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
SCHEMBL18530347 1.00 TDP1 (0.36) TDP1P2RX7CTSLMEN1MAPK1
SCHEMBL14813442 0.89 CA12 (0.33) P2RX7CTSLMEN1MAPK1KMT2A
SCHEMBL13738955 0.88 P2RX7 (0.34) TDP1P2RX7CTSLMEN1MAPK1
SCHEMBL4726064 0.88 P2RX7 (0.34) TDP1P2RX7CTSLMEN1MAPK1
SCHEMBL3942864 0.85 P2RX7 (0.34) TDP1P2RX7CTSLMEN1MAPK1
SCHEMBL13738101 0.85 P2RX7 (0.34) TDP1P2RX7CTSLMEN1MAPK1
SCHEMBL8568717 0.84 APLNR (0.34) TDP1P2RX7CTSLMEN1MAPK1
SCHEMBL3369497 0.83 TDP1 (0.42) TDP1P2RX7CTSLMEN1MAPK1
SCHEMBL9175696 0.83 P2RX7 (0.33) P2RX7CTSLMEN1MAPK1KMT2A
SCHEMBL19278457 0.83 P2RX7 (0.31) P2RX7

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-3102577-A1 QUINOLONE DERIVATIVES AS FIBROBLAST GROWTH FACTOR RECEPTOR INHIBITORS Principia Biopharma Inc. (US) 2016-12-14 EP disclosed
WO-2015120049-A1 QUINOLONE DERIVATIVES AS FIBROBLAST GROWTH FACTOR RECEPTOR INHIBITORS PRINCIPIA BIOPHARMA, INC. (US) 2015-08-13 WO disclosed