SCHEMBL5822305

SCHEMBL5822305

Cc1ccc2nc(N3CC[C@H](Nc4ccccc4)C3)ccc2c1NC(=O)CC1CCCCC1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 4/20 0.45
EPHX2 P34913 1/20 0.44
KCNQ3 O43525 2/20 0.41
KCNQ2 O43526 2/20 0.41
PTGER4 P35408 3/20 0.40
GBA1 P04062 1/20 0.40
GFER P55789 1/20 0.40
MCHR1 Q99705 2/20 0.39
GLS O94925 1/20 0.39
TERT O14746 1/20 0.39
IDH1 O75874 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
SCHEMBL1807288 0.86 P2RX7 (0.49) P2RX7KCNQ3KCNQ2PTGER4GBA1
SCHEMBL13813697 0.86 P2RX7 (0.55) P2RX7EPHX2KCNQ3KCNQ2PTGER4
SCHEMBL1803661 0.86 P2RX7 (0.55) P2RX7EPHX2KCNQ3KCNQ2PTGER4
SCHEMBL1803060 0.85 P2RX7 (0.44) P2RX7KCNQ3KCNQ2PTGER4GBA1
SCHEMBL1803748 0.81 P2RX7 (0.49) P2RX7EPHX2KCNQ3KCNQ2PTGER4
SCHEMBL1804098 0.81 P2RX7 (0.54) P2RX7KCNQ3KCNQ2
SCHEMBL3837025 0.81 P2RX7 (0.54) P2RX7KCNQ3KCNQ2
SCHEMBL3840967 0.81 KCNQ3 (0.46) P2RX7KCNQ3KCNQ2PTGER4GBA1
SCHEMBL13972650 0.80 P2RX7 (0.43) P2RX7PTGER4GBA1MCHR1
SCHEMBL13972676 0.78 P2RX7 (0.42) P2RX7PTGER4GBA1MCHR1

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