SCHEMBL13699794

SCHEMBL13699794

Bc1cc(F)cc2c1c(C(=O)NCC13CCC(CC1)CC3)cn2CC

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 5/20 0.38
CNR1 P21554 2/20 0.38
PDE10A Q9Y233 1/20 0.35
FOXO1 Q12778 1/20 0.35
IL1B P01584 9/20 0.35
P2RX7 Q99572 9/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MEN1 O00255 1/20 0.34
GAA P10253 1/20 0.34
KMT2A Q03164 1/20 0.34
DRD2 P14416 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
SCHEMBL13699782 0.89 P2RX7 (0.41) CNR2CNR1IL1BP2RX7
SCHEMBL1019651 0.89 CNR2 (0.39) CNR2CNR1PDE10AFOXO1IL1B
SCHEMBL13672996 0.88 P2RX7 (0.38) CNR2IL1BP2RX7
SCHEMBL1020417 0.88 IL1B (0.44) IL1BP2RX7
SCHEMBL1019261 0.88 CNR2 (0.38) CNR2CNR1PDE10AFOXO1IL1B
SCHEMBL13672991 0.88 CNR2 (0.35) CNR2IL1BP2RX7ALDH1A1MEN1
SCHEMBL12955184 0.84 P2RX7 (0.44) CNR2IL1BP2RX7
SCHEMBL13672992 0.82 CNR2 (0.38) CNR2CNR1IL1BP2RX7ALDH1A1
SCHEMBL1020147 0.82 KDM4E (0.36) CNR2CNR1FOXO1IL1BP2RX7
SCHEMBL1021343 0.82 P2RX7 (0.39) CNR2IL1BP2RX7KDM4EALDH1A1

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