SCHEMBL4705301

SCHEMBL4705301

Cc1c(-c2ncccc2C(=O)c2ccccc2Cl)nnn1Cc1ccc(F)c(C(F)(F)F)c1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RORB Q92753 3/20 0.42
RPS6KB1 P23443 1/20 0.37
P2RX7 Q99572 3/20 0.36
KCNN4 O15554 1/20 0.36
GRM2 Q14416 1/20 0.36
GRM4 Q14833 2/20 0.36
PTGDR2 Q9Y5Y4 3/20 0.35
RORC P51449 4/20 0.35
JAK2 O60674 1/20 0.35
JAK1 P23458 1/20 0.35
CYP2C9 P11712 1/20 0.34
GPR52 Q9Y2T5 1/20 0.34
NR3C2 P08235 1/20 0.34

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
SCHEMBL4708480 0.87 RORB (0.42) RORBRPS6KB1KCNN4GRM2GRM4
SCHEMBL4706973 0.86 RORB (0.44) RORBP2RX7RORC
SCHEMBL4759328 0.86 RORB (0.43) RORBP2RX7PTGDR2RORC
SCHEMBL4705528 0.85 RORB (0.43) RORBRPS6KB1P2RX7GRM2RORC
SCHEMBL4707066 0.85 RORB (0.41) RORBRPS6KB1P2RX7KCNN4GRM2
SCHEMBL4705134 0.85 RORB (0.45) RORBRPS6KB1P2RX7GRM4PTGDR2
SCHEMBL4708293 0.84 RORB (0.40) RORBP2RX7RORCGPR52
SCHEMBL4709738 0.84 RORB (0.42) RORBP2RX7PTGDR2RORC
SCHEMBL4708736 0.84 RORB (0.49) RORBRPS6KB1P2RX7PTGDR2RORC
SCHEMBL4706958 0.82 RORB (0.42) RORBP2RX7KCNN4RORCCYP2C9

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1501809-B1 TRIAZOLE DERIVATIVES AS TACHYKININ RECEPTOR ANTAGONISTS LILLY CO ELI (US) 2008-01-16 EP disclosed