SCHEMBL27776437

SCHEMBL27776437

CC(CO)n1ccc2c(NC(=O)Cc3ccc(C(F)(F)F)cc3)c(Cl)ccc2c1=O

nearest known ligand 0.63

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 12/20 0.63
NTRK1 P04629 4/20 0.44
NLRP3 Q96P20 1/20 0.40
CNR2 P34972 1/20 0.40
LMNA P02545 1/20 0.39
POLB P06746 1/20 0.39
KCNJ5 P48544 1/20 0.38
KCNJ3 P48549 1/20 0.38

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
SCHEMBL306808 1.00 P2RX7 (0.63) P2RX7NTRK1NLRP3CNR2LMNA
SCHEMBL308141 0.90 P2RX7 (0.76) P2RX7NTRK1NLRP3LMNAPOLB
SCHEMBL14407705 0.90 P2RX7 (0.76) P2RX7NTRK1NLRP3LMNAPOLB
SCHEMBL306906 0.89 P2RX7 (0.66) P2RX7NTRK1LMNA
SCHEMBL27776446 0.89 P2RX7 (0.66) P2RX7NTRK1LMNA
SCHEMBL305748 0.88 P2RX7 (0.58) P2RX7NTRK1NLRP3CNR2LMNA
SCHEMBL306152 0.88 P2RX7 (0.58) P2RX7NTRK1NLRP3CNR2LMNA
SCHEMBL305747 0.88 P2RX7 (0.58) P2RX7NTRK1NLRP3CNR2LMNA
SCHEMBL308147 0.87 P2RX7 (0.59) P2RX7NTRK1NLRP3POLBKCNJ5
SCHEMBL27776464 0.87 P2RX7 (0.59) P2RX7NTRK1NLRP3POLBKCNJ5

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
CN-101686680-A Bicyclic heteroaryl compounds as P2X7 modulators and uses thereof RENOVIS INC 2010-03-31 CN claimed
CN-101686680-A Bicyclic heteroaryl compounds as P2X7 modulators and uses thereof RENOVIS INC 2010-03-31 CN disclosed