Sugi Predict

Sugi Predict / Compounds / SCHEMBL27776464

SCHEMBL27776464

SCHEMBL27776464

CC(CO)n1ccc2c(NC(=O)Cc3ccc(C(F)(F)F)cc3F)c(Cl)ccc2c1=O

nearest known ligand 0.59

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ P2RX7 Q99572 12/20 0.59
▸ POLB P06746 2/20 0.39
▸ NTRK1 P04629 2/20 0.38
▸ NLRP3 Q96P20 1/20 0.38
▸ RET P07949 1/20 0.36
▸ KCNJ5 P48544 1/20 0.36
▸ KCNJ3 P48549 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
SCHEMBL308147 1.00 P2RX7 (0.59) P2RX7POLBNTRK1NLRP3RET
SCHEMBL306808 0.87 P2RX7 (0.63) P2RX7POLBNTRK1NLRP3KCNJ5
SCHEMBL27776437 0.87 P2RX7 (0.63) P2RX7POLBNTRK1NLRP3KCNJ5
SCHEMBL306906 0.86 P2RX7 (0.66) P2RX7NTRK1
SCHEMBL27776446 0.86 P2RX7 (0.66) P2RX7NTRK1
SCHEMBL1591075 0.85 P2RX7 (0.65) P2RX7POLBNTRK1RET
SCHEMBL307164 0.83 P2RX7 (0.73) P2RX7NTRK1
SCHEMBL305888 0.83 P2RX7 (0.84) P2RX7NTRK1
SCHEMBL306977 0.83 P2RX7 (0.84) P2RX7NTRK1
SCHEMBL305887 0.83 P2RX7 (0.84) P2RX7NTRK1

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