SCHEMBL4056167

SCHEMBL4056167

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

nearest known ligand 0.42

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 2/20 0.42
CNR2 P34972 1/20 0.39
P2RX7 Q99572 14/20 0.38
IL1B P01584 13/20 0.38
CFD P00746 3/20 0.37

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
SCHEMBL13691051 1.00 CNR1 (0.42) CNR1CNR2P2RX7IL1BCFD
SCHEMBL13690708 0.93 CNR1 (0.40) CNR1CNR2P2RX7IL1B
SCHEMBL4050200 0.91 CNR1 (0.43) CNR1CNR2P2RX7IL1BCFD
SCHEMBL13691049 0.91 CNR1 (0.39) CNR1CNR2P2RX7IL1B
SCHEMBL4059287 0.91 CNR1 (0.39) CNR1CNR2P2RX7IL1B
SCHEMBL13691048 0.89 CNR1 (0.38) CNR1CNR2P2RX7IL1B
SCHEMBL4050609 0.89 CNR1 (0.38) CNR1CNR2P2RX7IL1B
SCHEMBL13691310 0.89 CNR1 (0.40) CNR1CNR2P2RX7IL1BCFD
SCHEMBL13690975 0.88 CNR1 (0.56) CNR1CNR2CFD
SCHEMBL13691117 0.87 PTGER4 (0.41) CNR1P2RX7IL1BCFD

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