SCHEMBL5769121

SCHEMBL5769121

CNCCC(C)Nc1ccc2c(C(=O)NCC3CCCCC3)c(Cl)ccc2n1

nearest known ligand 0.56

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 19/20 0.56
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL1803930 0.81 P2RX7 (0.64) P2RX7MEN1KMT2A
SCHEMBL6617080 0.81 P2RX7 (0.55) P2RX7
SCHEMBL1804726 0.80 P2RX7 (0.53) P2RX7MEN1KMT2A
SCHEMBL3837822 0.79 P2RX7 (0.67) P2RX7MEN1KMT2A
SCHEMBL3837736 0.78 P2RX7 (0.70) P2RX7MEN1KMT2A
SCHEMBL1804950 0.78 P2RX7 (0.56) P2RX7MEN1KMT2A
Hydrochloric Acid SCHEMBL3836582 0.78 P2RX7 (0.66) P2RX7MEN1KMT2A
Hydrochloric Acid SCHEMBL3837022 0.78 P2RX7 (0.56) P2RX7MEN1KMT2A
SCHEMBL1813501 0.78 P2RX7 (0.56) P2RX7MEN1KMT2A
Hydrochloric Acid SCHEMBL3837908 0.77 P2RX7 (0.55) P2RX7MEN1KMT2A

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-1633717-A1 NEW P2X7 RECEPTOR ANTAGONISTS AND THEIR USE AstraZeneca AB (SE) 2006-03-15 EP disclosed
WO-2004106305-A1 NEW P2X7 RECEPTOR ANTAGONISTS AND THEIR USE ASTRAZENECA AB (SE) 2004-12-09 WO disclosed