SCHEMBL4707765

SCHEMBL4707765

O=C(c1ccccc1Cl)c1ncncc1-c1nnn(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1-c1cncnc1

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
RORB Q92753 10/20 0.40
RORC P51449 6/20 0.40
TACR1 P25103 2/20 0.37
GRM2 Q14416 2/20 0.36
IDH1 O75874 1/20 0.36
HTT P42858 1/20 0.34
L3MBTL1 Q9Y468 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
SCHEMBL4707854 0.94 IDH1 (0.43) RORBRORCTACR1GRM2IDH1
SCHEMBL4705938 0.94 RORB (0.37) RORBRORCTACR1GRM2IDH1
SCHEMBL4708296 0.89 RORB (0.41) RORBRORCTACR1GRM2IDH1
SCHEMBL6385997 0.86 RORB (0.42) RORBRORCTACR1GRM2IDH1
SCHEMBL4705482 0.86 RORB (0.41) RORBRORCTACR1GRM2IDH1
SCHEMBL4706857 0.85 CDC7 (0.37) RORBRORCTACR1L3MBTL1
SCHEMBL4707133 0.84 RORB (0.40) RORBRORCTACR1GRM2IDH1
SCHEMBL4705460 0.84 RORB (0.39) RORBRORCTACR1GRM2IDH1
SCHEMBL4707207 0.83 RORB (0.40) RORBRORCTACR1GRM2IDH1
SCHEMBL4708632 0.83 RORB (0.42) RORBRORCTACR1GRM2IDH1

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