SCHEMBL13699797

SCHEMBL13699797

CCCn1cc(C(=O)NCC23CCC(CC2)CC3)c2c(F)cc(Br)cc21

nearest known ligand 0.39

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 9/20 0.39
CNR1 P21554 5/20 0.36
P2RX7 Q99572 10/20 0.35
IL1B P01584 7/20 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
SCHEMBL1020147 0.92 KDM4E (0.36) CNR2CNR1P2RX7IL1B
SCHEMBL1020840 0.91 P2RX7 (0.41) CNR2P2RX7IL1B
SCHEMBL1019586 0.88 MAP2K1 (0.39) CNR2P2RX7IL1B
SCHEMBL1019507 0.84 P2RX7 (0.46) CNR2P2RX7IL1B
SCHEMBL1019695 0.82 CNR2 (0.37) CNR2CNR1P2RX7IL1B
SCHEMBL1019517 0.82 P2RX7 (0.39) CNR2CNR1P2RX7IL1B
SCHEMBL12955303 0.82 P2RX7 (0.41) CNR2P2RX7IL1B
SCHEMBL1021504 0.81 P2RX7 (0.40) CNR2CNR1P2RX7IL1B
SCHEMBL1019436 0.81 CNR2 (0.39) CNR2CNR1P2RX7IL1B
SCHEMBL1019972 0.80 CNR2 (0.46) CNR2P2RX7IL1B

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