SCHEMBL4707207

SCHEMBL4707207

Cc1cc(C(=O)c2ccccc2Cl)c(-c2nnn(Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)c2-c2cncnc2)nn1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RORB Q92753 9/20 0.40
RORC P51449 5/20 0.40
TACR1 P25103 2/20 0.35
GRM2 Q14416 1/20 0.34
HTT P42858 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
IDH1 O75874 1/20 0.34
GAA P10253 1/20 0.33
PTGER4 P35408 2/20 0.33
KDM4E B2RXH2 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL4707706 0.92 IDH1 (0.42) RORBRORCTACR1IDH1PTGER4
SCHEMBL4708690 0.92 RORB (0.40) RORBRORCTACR1GAAPTGER4
SCHEMBL4706783 0.91 RORB (0.38) RORBRORCTACR1GRM2IDH1
SCHEMBL4707133 0.88 RORB (0.40) RORBRORCTACR1GRM2HTT
SCHEMBL4705482 0.87 RORB (0.41) RORBRORCTACR1GRM2HTT
SCHEMBL4707926 0.87 P2RX7 (0.36) RORBRORCTACR1IDH1GAA
SCHEMBL4707181 0.86 RORB (0.40) RORBRORCTACR1GRM2HTT
SCHEMBL4708296 0.85 RORB (0.41) RORBRORCTACR1GRM2IDH1
SCHEMBL4705944 0.83 TACR1 (0.39) RORBRORCTACR1GRM2HTT
SCHEMBL4706766 0.83 RORB (0.43) RORBRORCTACR1GRM2HTT

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