SCHEMBL13699782

SCHEMBL13699782

Bc1cc(F)cc2c1c(C(=O)NCC13CCC(CC1)CC3)cn2CCO

nearest known ligand 0.41

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 16/20 0.41
IL1B P01584 12/20 0.41
CNR2 P34972 3/20 0.34
CNR1 P21554 1/20 0.33

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) P2RX7IL1BCNR2CNR1
SCHEMBL13699794 0.89 CNR2 (0.38) P2RX7IL1BCNR2CNR1
SCHEMBL1019591 0.88 P2RX7 (0.41) P2RX7IL1BCNR2CNR1
SCHEMBL13673133 0.88 P2RX7 (0.39) P2RX7IL1B
SCHEMBL1020305 0.88 P2RX7 (0.44) P2RX7IL1B
SCHEMBL1020804 0.88 P2RX7 (0.41) P2RX7IL1BCNR2CNR1
SCHEMBL13672991 0.87 CNR2 (0.35) P2RX7IL1BCNR2
SCHEMBL13673074 0.84 P2RX7 (0.50) P2RX7IL1B
SCHEMBL13699802 0.82 CNR2 (0.39) P2RX7IL1BCNR2CNR1
SCHEMBL13672994 0.82 P2RX7 (0.42) P2RX7IL1B

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