SCHEMBL4050609

SCHEMBL4050609

CC(C)(C)[C@H](NC(=O)c1nn(CC2CCC(F)(F)CC2)c2c(Cl)cccc12)C(=O)NCCCO

nearest known ligand 0.38

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 2/20 0.38
P2RX7 Q99572 16/20 0.37
IL1B P01584 15/20 0.37
CNR2 P34972 1/20 0.36

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
SCHEMBL13691048 1.00 CNR1 (0.38) CNR1P2RX7IL1BCNR2
SCHEMBL13691049 0.95 CNR1 (0.39) CNR1P2RX7IL1BCNR2
SCHEMBL4059287 0.95 CNR1 (0.39) CNR1P2RX7IL1BCNR2
SCHEMBL13690998 0.92 CNR1 (0.39) CNR1P2RX7IL1BCNR2
SCHEMBL4050180 0.92 CNR1 (0.39) CNR1P2RX7IL1BCNR2
SCHEMBL13690708 0.90 CNR1 (0.40) CNR1P2RX7IL1BCNR2
SCHEMBL13691051 0.89 CNR1 (0.42) CNR1P2RX7IL1BCNR2
SCHEMBL4056167 0.89 CNR1 (0.42) CNR1P2RX7IL1BCNR2
SCHEMBL4059054 0.88 CNR1 (0.51) CNR1CNR2
SCHEMBL13691013 0.88 CNR1 (0.51) CNR1CNR2

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
WO-2009106980-A2 INDAZOLE DERIVATIVES PFIZER INC. (US) 2009-09-03 WO claimed
WO-2009106980-A2 INDAZOLE DERIVATIVES PFIZER INC. (US) 2009-09-03 WO disclosed