SCHEMBL9029897

SCHEMBL9029897

CN(C)CCN(C(=O)/C=C/c1cccc(C(F)(F)F)c1)[C@H]1CC[C@H](C)CC1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
P4HB P07237 2/20 0.43
MEN1 O00255 1/20 0.43
LMNA P02545 1/20 0.43
HSP90AA1 P07900 1/20 0.43
MAPT P10636 1/20 0.43
PKM P14618 1/20 0.43
KMT2A Q03164 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
MAOB P27338 5/20 0.43
HTT P42858 2/20 0.43
THRB P10828 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
MAOA P21397 1/20 0.43
KDM4E B2RXH2 1/20 0.42
CCR2 P41597 1/20 0.41
NPY2R P49146 1/20 0.40

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
SCHEMBL9029900 1.00 P4HB (0.43) P4HBMEN1LMNAHSP90AA1MAPT
SCHEMBL9029904 1.00 P4HB (0.43) P4HBMEN1LMNAHSP90AA1MAPT
Hydrochloric Acid SCHEMBL9028901 0.99 P4HB (0.42) P4HBMEN1LMNAHSP90AA1MAPT
Hydrochloric Acid SCHEMBL9028906 0.99 P4HB (0.42) P4HBMEN1LMNAHSP90AA1MAPT
Hydrochloric Acid SCHEMBL9028894 0.99 P4HB (0.42) P4HBMEN1LMNAHSP90AA1MAPT
SCHEMBL9029263 0.85 KLF5 (0.46) MEN1LMNAMAPTKMT2AMAOB
SCHEMBL9029259 0.85 KLF5 (0.46) MEN1LMNAMAPTKMT2AMAOB
SCHEMBL9029270 0.85 KLF5 (0.46) MEN1LMNAMAPTKMT2AMAOB
Hydrochloric Acid SCHEMBL9030592 0.84 KLF5 (0.46) MEN1LMNAMAPTKMT2AMAOB
Hydrochloric Acid SCHEMBL9030596 0.84 KLF5 (0.46) MEN1LMNAMAPTKMT2AMAOB

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0535250-B1 NOVEL COMPOUNDS AND USE THEREOF AS MEDICINE TSUMURA & CO (JP) 1996-06-19 EP disclosed
EP-0705817-A1 New cannamide derivatives and their use as allergy inhibitors TSUMURA & CO. (JP) 1996-04-10 EP disclosed
US-5344845-A Methyl 4(4-acetoxy-3-methoxycinnamanide and salts as an immunosuppressive drug for allergic reactions TSUMURA & CO. (JP) 1994-09-06 US disclosed
EP-0535250-A1 NOVEL COMPOUNDS AND USE THEREOF AS MEDICINE TSUMURA & CO. (JP) 1993-04-07 EP disclosed