SCHEMBL4638837

SCHEMBL4638837

CC(OC(C)(C)C)c1onc(-c2ccccc2Cl)c1C(=O)c1nnn(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1N1CCOCC1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
EPAS1 Q99814 3/20 0.37
MAPT P10636 2/20 0.37
GAA P10253 1/20 0.37
TSHR P16473 1/20 0.35
TACR1 P25103 3/20 0.34
PPARD Q03181 3/20 0.34
NR1H4 Q96RI1 3/20 0.34
GPBAR1 Q8TDU6 2/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
TACR3 P29371 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NLRP3 Q96P20 1/20 0.33
LMNA P02545 1/20 0.33
HTT P42858 1/20 0.33
POLB P06746 1/20 0.33

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
SCHEMBL4639395 0.91 EPAS1 (0.40) ALDH1A1TDP1L3MBTL1EPAS1MAPT
SCHEMBL4637886 0.89 EPAS1 (0.39) ALDH1A1EPAS1MAPTTSHRTACR1
SCHEMBL4637845 0.86 EPAS1 (0.41) ALDH1A1TDP1L3MBTL1EPAS1MAPT
SCHEMBL4638634 0.85 ALDH1A1 (0.39) ALDH1A1TDP1L3MBTL1EPAS1MAPT
SCHEMBL4707874 0.85 EPAS1 (0.39) ALDH1A1TDP1L3MBTL1EPAS1MAPT
SCHEMBL4637876 0.85 EPAS1 (0.39) ALDH1A1TDP1L3MBTL1EPAS1MAPT
SCHEMBL4637694 0.85 EPAS1 (0.39) ALDH1A1TDP1L3MBTL1EPAS1MAPT
SCHEMBL4638045 0.84 EPAS1 (0.39) ALDH1A1TDP1L3MBTL1EPAS1MAPT
SCHEMBL4637796 0.84 EPAS1 (0.39) ALDH1A1TDP1L3MBTL1EPAS1MAPT
SCHEMBL4638545 0.83 ALDH1A1 (0.38) ALDH1A1TDP1L3MBTL1EPAS1MAPT

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-1501808-B1 TACHYKININ RECEPTOR ANTAGONISTS LILLY CO ELI (US) 2008-07-02 EP disclosed