SCHEMBL9029263

SCHEMBL9029263

CN(C)CCN(C(=O)C=Cc1cccc(Cl)c1)[C@H]1CC[C@H](C)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KLF5 Q13887 3/20 0.46
CYP1A2 P05177 2/20 0.45
CYP2C9 P11712 1/20 0.45
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.41
HPGD P15428 1/20 0.41
CYP2C19 P33261 1/20 0.41
MAOB P27338 2/20 0.41
NPY2R P49146 1/20 0.39
MAOA P21397 1/20 0.39
TRPM8 Q7Z2W7 1/20 0.39
MAPT P10636 1/20 0.38
DRD2 P14416 1/20 0.38
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
HTR2B P41595 1/20 0.38
SIGMAR1 Q99720 1/20 0.38

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
SCHEMBL9029270 1.00 KLF5 (0.46) KLF5CYP1A2CYP2C9MEN1ALDH1A1
SCHEMBL9029259 1.00 KLF5 (0.46) KLF5CYP1A2CYP2C9MEN1ALDH1A1
Hydrochloric Acid SCHEMBL9030592 0.99 KLF5 (0.46) KLF5CYP1A2CYP2C9MEN1ALDH1A1
Hydrochloric Acid SCHEMBL9030590 0.99 KLF5 (0.46) KLF5CYP1A2CYP2C9MEN1ALDH1A1
Hydrochloric Acid SCHEMBL9030596 0.99 KLF5 (0.46) KLF5CYP1A2CYP2C9MEN1ALDH1A1
SCHEMBL9029541 0.86 SIGMAR1 (0.47) TRPM8MAPTSIGMAR1
SCHEMBL9029533 0.86 SIGMAR1 (0.47) TRPM8MAPTSIGMAR1
SCHEMBL9029549 0.86 SIGMAR1 (0.47) TRPM8MAPTSIGMAR1
SCHEMBL9029904 0.85 P4HB (0.43) MEN1LMNAKMT2AMAOBNPY2R
SCHEMBL9029897 0.85 P4HB (0.43) MEN1LMNAKMT2AMAOBNPY2R

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