SCHEMBL22335151

SCHEMBL22335151

CC[C@H]1C[C@H]1c1ccc(NC(=O)c2ccc(N3CCOCC3)c(NC(=O)OCc3ccccc3)c2)cc1

nearest known ligand 0.81

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 12/20 0.81
RCOR1 Q9UKL0 11/20 0.81
MAOA P21397 11/20 0.81
KDM1B Q8NB78 9/20 0.81
MAOB P27338 8/20 0.81
PRKDC P78527 1/20 0.49
MAPK14 Q16539 1/20 0.46
ALDH1A1 P00352 3/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
KDM4E B2RXH2 1/20 0.44
TSHR P16473 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44

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
SCHEMBL22335119 0.91 KDM1A (0.82) KDM1ARCOR1MAOAKDM1BMAOB
SCHEMBL17287400 0.90 KDM1A (1.00) KDM1ARCOR1MAOAKDM1BMAOB
SCHEMBL17287398 0.90 KDM1A (1.00) KDM1ARCOR1MAOAKDM1BMAOB
Hydrochloric Acid SCHEMBL17287370 0.89 KDM1A (1.00) KDM1ARCOR1MAOAKDM1BMAOB
Hydrochloric Acid SCHEMBL17287369 0.89 KDM1A (1.00) KDM1ARCOR1MAOAKDM1BMAOB
SCHEMBL17302731 0.86 KDM1A (0.76) KDM1ARCOR1MAOAKDM1BMAOB
SCHEMBL15778035 0.84 KDM1A (0.73) KDM1ARCOR1MAOAKDM1BMAOB
SCHEMBL15778034 0.84 KDM1A (0.73) KDM1ARCOR1MAOAKDM1BMAOB
SCHEMBL15787401 0.84 KDM1A (0.73) KDM1ARCOR1MAOAKDM1BMAOB
SCHEMBL22334935 0.82 KDM1A (0.75) KDM1ARCOR1MAOAKDM1BMAOB

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-2928457-B1 CYCLOPROPYLAMINE DERIVATIVES USEFUL AS INHIBITORS OF HISTONE DEMETHYLASES KDM1A ST EUROPEO DI ONCOLOGIA S R L (IT) 2020-08-12 EP disclosed