SCHEMBL27797239

SCHEMBL27797239

C[C@H](CO)n1ccc2c(C(=O)O)c(Cl)ccc2c1=O.NC(=O)c1ccc(Cl)c(F)c1

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 9/20 0.42
RORC P51449 4/20 0.35
DPP4 P27487 3/20 0.34
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 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
SCHEMBL27797240 1.00 P2RX7 (0.42) P2RX7RORCDPP4SLC6A2SLC6A4
SCHEMBL27776544 0.91 P2RX7 (0.51) P2RX7RORC
SCHEMBL27776543 0.91 P2RX7 (0.51) P2RX7RORC
SCHEMBL4438657 0.85 P2RX7 (0.46) P2RX7DPP4
SCHEMBL27797214 0.85 P2RX7 (0.46) P2RX7DPP4
SCHEMBL8132956 0.82 P2RX7 (0.46) P2RX7
SCHEMBL27776447 0.79 P2RX7 (0.51) P2RX7RORC
SCHEMBL27776449 0.79 P2RX7 (0.51) P2RX7RORC
SCHEMBL307857 0.78 P2RX7 (0.50) P2RX7
SCHEMBL307031 0.76 P2RX7 (0.52) P2RX7

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