SCHEMBL4018835

SCHEMBL4018835

CCOC(=O)C(C(=O)C1CCC(C(F)(F)F)CC1)c1ccc(C(F)(F)F)nc1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 9/20 0.39
PSEN1 P49768 1/20 0.38
PSEN2 P49810 1/20 0.38
APH1B Q8WW43 1/20 0.38
NCSTN Q92542 1/20 0.38
APH1A Q96BI3 1/20 0.38
PSENEN Q9NZ42 1/20 0.38
EPHX2 P34913 1/20 0.37
PIK3CD O00329 2/20 0.36
PIK3R1 P27986 1/20 0.36
TRPV1 Q8NER1 1/20 0.36
SYK P43405 1/20 0.36
PDE2A O00408 2/20 0.35
KCNK3 O14649 1/20 0.35

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
SCHEMBL13746955 0.90 PI4KB (0.36) SYK
SCHEMBL4025663 0.72 DPP4 (0.38)
SCHEMBL4021827 0.71 SLC6A3 (0.42)
SCHEMBL25415317 0.71 POLB (0.40) P2RX7
SCHEMBL17653900 0.70 GAA (0.49) P2RX7
Hydrochloric Acid SCHEMBL31186261 0.69 POLB (0.41) P2RX7
SCHEMBL13746010 0.68 BRD4 (0.34)
SCHEMBL24168507 0.68 KDM4E (0.42) P2RX7
SCHEMBL16286568 0.68 MMP8 (0.44) P2RX7
SCHEMBL30441395 0.68 MMP8 (0.44) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009100403-A1 SUBSTITUTED ARYL PYRIMIDINONES NEUROGEN CORPORATION (US) 2009-08-13 WO disclosed