SCHEMBL29636799

SCHEMBL29636799

CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cc(Cl)c4cc(F)ccc4n3)cc2)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.46
ALDH1A1 P00352 2/20 0.45
LMNA P02545 2/20 0.45
IDO1 P14902 1/20 0.44
TDO2 P48775 1/20 0.44
IDO2 Q6ZQW0 1/20 0.44
ENPP2 Q13822 1/20 0.44
ALOX5 P09917 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
SUV39H2 Q9H5I1 2/20 0.43
HTT P42858 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
GRIA1 P42261 1/20 0.43
MEN1 O00255 1/20 0.43
TSHR P16473 1/20 0.43
KMT2A Q03164 1/20 0.43
TNKS O95271 1/20 0.43
PARP1 P09874 1/20 0.43
TNKS2 Q9H2K2 1/20 0.43
DHODH Q02127 1/20 0.43

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
SCHEMBL23015375 1.00 MAPT (0.46) MAPTALDH1A1LMNAIDO1TDO2
SCHEMBL23015108 0.87 ALDH1A1 (0.53) MAPTALDH1A1LMNASMN1; SMN2HTT
SCHEMBL29636833 0.87 ALDH1A1 (0.53) MAPTALDH1A1LMNASMN1; SMN2HTT
SCHEMBL23015150 0.85 SUV39H2 (0.51) ALDH1A1SUV39H2NPSR1KDM4E
SCHEMBL18031540 0.80 SCN9A (0.56) MAPTALDH1A1LMNAENPP2SMN1; SMN2
SCHEMBL23015171 0.80 ACP1 (0.47) MAPTIDO1TDO2IDO2ENPP2
SCHEMBL29636793 0.80 ACP1 (0.47) MAPTIDO1TDO2IDO2ENPP2
SCHEMBL26967706 0.80 MAPT (0.46) MAPTALDH1A1LMNAENPP2ALOX5
SCHEMBL805870 0.78 SCN9A (0.65) ENPP2GRIA1
SCHEMBL941160 0.78 ALDH1A1 (0.62) MAPTALDH1A1LMNASMN1; SMN2HTT

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-4017492-A1 MOLECULES THAT BIND TO TDP-43 FOR THE TREATMENT OF AMYOTROPHIC LATERAL SCLEROSIS AND RELATED DISORDERS Biohaven Therapeutics Ltd. (US) 2022-06-29 EP disclosed