SCHEMBL4709738

SCHEMBL4709738

Cc1c(-c2ncccc2C(=O)c2ccccc2Cl)nnn1Cc1cc(C(F)(F)F)ccc1F

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RORB Q92753 8/20 0.42
P2RX7 Q99572 2/20 0.41
RORC P51449 5/20 0.38
CRHR1 P34998 5/20 0.36
HSD11B1 P28845 1/20 0.35
RPS6KA3 P51812 1/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.35
CRHR2 Q13324 1/20 0.34
SLC16A3 O15427 1/20 0.34
SLC16A1 P53985 1/20 0.34
MCTS1 Q9ULC4 1/20 0.34
MRGPRX4 Q96LA9 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
SCHEMBL4706699 0.87 RORB (0.42) RORBP2RX7RORC
SCHEMBL4706973 0.86 RORB (0.44) RORBP2RX7RORC
SCHEMBL4759328 0.86 RORB (0.43) RORBP2RX7RORCPTGDR2
SCHEMBL4708468 0.85 RORB (0.41) RORBP2RX7RORCRPS6KA3
SCHEMBL4708752 0.85 RORB (0.43) RORBP2RX7RORCCRHR1RPS6KA3
SCHEMBL4708293 0.84 RORB (0.40) RORBP2RX7RORC
SCHEMBL4705301 0.84 RORB (0.42) RORBP2RX7RORCPTGDR2
SCHEMBL4705134 0.81 RORB (0.45) RORBP2RX7RORCRPS6KA3PTGDR2
SCHEMBL4708736 0.81 RORB (0.49) RORBP2RX7RORCRPS6KA3PTGDR2
SCHEMBL4708689 0.78 RORB (0.40) RORBRORC

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