SCHEMBL4707455

SCHEMBL4707455

C[C@@H](O)c1onc(-c2nnn(Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)c2Cl)c1C(=O)c1ccccc1N1CCOCC1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.37
MEN1 O00255 1/20 0.37
TSHR P16473 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.34
GAA P10253 4/20 0.34
ALDH1A1 P00352 3/20 0.34
KDM4E B2RXH2 2/20 0.34
MAPT P10636 1/20 0.33
LMNA P02545 2/20 0.33
IDO1 P14902 1/20 0.33
TDO2 P48775 1/20 0.33
RAF1 P04049 1/20 0.32
RORC P51449 1/20 0.32
TACR1 P25103 1/20 0.32
TACR3 P29371 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
SCHEMBL4707456 1.00 POLB (0.37) POLBMEN1TSHRKMT2ASMN1; SMN2
SCHEMBL4705104 0.91 POLB (0.35) POLBMEN1TSHRKMT2ASMN1; SMN2
SCHEMBL4706878 0.88 TSHR (0.37) POLBMEN1TSHRKMT2ASMN1; SMN2
SCHEMBL4708475 0.87 RORB (0.37) KMT2ASMN1; SMN2GAAKDM4ERORC
SCHEMBL4708474 0.87 RORB (0.37) KMT2ASMN1; SMN2GAAKDM4ERORC
SCHEMBL4708201 0.83 TSHR (0.35) POLBMEN1TSHRKMT2ASMN1; SMN2
SCHEMBL4639395 0.80 EPAS1 (0.40) POLBMEN1TSHRKMT2ASMN1; SMN2
SCHEMBL4707988 0.78 PTGER4 (0.36) KMT2ASMN1; SMN2KDM4ERORCTACR1
SCHEMBL4707992 0.78 PTGER4 (0.36) KMT2ASMN1; SMN2KDM4ERORCTACR1
SCHEMBL4705694 0.77 LMNA (0.43) TSHRKMT2AGAAALDH1A1MAPT

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