SCHEMBL19609403

SCHEMBL19609403

CC(C)(C)OC(=O)N(CC(=O)N1CCNCC1)C1CC1c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 8/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
EZH2 Q15910 2/20 0.40
RORC P51449 1/20 0.39
HSD11B1 P28845 1/20 0.38
MAOA P21397 1/20 0.37
MAOB P27338 2/20 0.36
TLR2 O60603 1/20 0.36
TLR1 Q15399 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
SIGMAR1 Q99720 1/20 0.35

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
SCHEMBL2549491 0.83 KDM1A (0.53) KDM1AEZH2MAOAMAOB
SCHEMBL2755941 0.82 KDM1A (0.46) KDM1AHDAC8HDAC6EZH2RORC
SCHEMBL237030 0.82 KDM1A (0.46) KDM1AHDAC8HDAC6EZH2RORC
SCHEMBL237029 0.82 KDM1A (0.46) KDM1AHDAC8HDAC6EZH2RORC
SCHEMBL19609202 0.80 KDM1A (0.43) KDM1AHDAC8HDAC6EZH2MAOA
SCHEMBL18845248 0.80 KDM1A (0.43) KDM1AHDAC8HDAC6EZH2MAOA
SCHEMBL19585902 0.79 KDM1A (0.48) KDM1AHDAC8HDAC6MAOAMAOB
SCHEMBL19609354 0.79 KDM1A (0.46) KDM1AHDAC8HDAC6MAOAMAOB
SCHEMBL12242253 0.79 MAOA (0.44) KDM1AHDAC8HDAC6RORCHSD11B1
SCHEMBL2339013 0.78 KDM1A (0.58) KDM1AMAOAMAOB

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
WO-2017195216-A1 CYCLOPROPYL-AMIDE COMPOUNDS AS DUAL LSD1/HDAC INHIBITORS JUBILANT BIOSYS LIMITED (IN) 2017-11-16 WO disclosed