SCHEMBL13699802

SCHEMBL13699802

Bc1cc(C)c2c(C(=O)NCC34CCC(CC3)CC4)cn(CCO)c2c1

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 4/20 0.39
P2RX7 Q99572 14/20 0.39
IL1B P01584 8/20 0.39
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
KMT2A Q03164 1/20 0.35
CNR1 P21554 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
SCHEMBL13673135 0.90 P2RX7 (0.40) CNR2P2RX7IL1BCNR1
SCHEMBL1019591 0.88 P2RX7 (0.41) CNR2P2RX7IL1BCNR1
SCHEMBL13672994 0.88 P2RX7 (0.42) P2RX7IL1B
SCHEMBL1019125 0.88 P2RX7 (0.39) CNR2P2RX7IL1B
SCHEMBL1019517 0.88 P2RX7 (0.39) CNR2P2RX7IL1BMEN1ALDH1A1
SCHEMBL11955134 0.88 P2RX7 (0.39) CNR2P2RX7IL1BMEN1ALDH1A1
SCHEMBL13672993 0.88 P2RX7 (0.39) CNR2P2RX7MEN1ALDH1A1KMT2A
SCHEMBL1018232 0.84 P2RX7 (0.50) CNR2P2RX7IL1B
SCHEMBL13673133 0.82 P2RX7 (0.39) P2RX7IL1B
SCHEMBL13699782 0.82 P2RX7 (0.41) CNR2P2RX7IL1BCNR1

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
EP-2105164-A1 Novel P2X7R antagonists and their use Affectis Pharmaceuticals AG (DE) 2009-09-30 EP disclosed