SCHEMBL9029541

SCHEMBL9029541

CN(C)CCN(C(=O)C=Cc1ccc(Cl)c(Cl)c1)[C@H]1CC[C@H](C)CC1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.47
PYGL P06737 10/20 0.41
TRPM8 Q7Z2W7 1/20 0.41
CCR2 P41597 3/20 0.41
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
PTGS2 P35354 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
SCHEMBL9029533 1.00 SIGMAR1 (0.47) SIGMAR1PYGLTRPM8CCR2GAA
SCHEMBL9029549 1.00 SIGMAR1 (0.47) SIGMAR1PYGLTRPM8CCR2GAA
Hydrochloric Acid SCHEMBL9030134 0.99 SIGMAR1 (0.47) SIGMAR1PYGLTRPM8CCR2GAA
Hydrochloric Acid SCHEMBL9030125 0.99 SIGMAR1 (0.47) SIGMAR1PYGLTRPM8CCR2GAA
Hydrochloric Acid SCHEMBL9030127 0.99 SIGMAR1 (0.47) SIGMAR1PYGLTRPM8CCR2GAA
SCHEMBL9029270 0.86 KLF5 (0.46) SIGMAR1TRPM8MAPT
SCHEMBL9029259 0.86 KLF5 (0.46) SIGMAR1TRPM8MAPT
SCHEMBL9029263 0.86 KLF5 (0.46) SIGMAR1TRPM8MAPT
Hydrochloric Acid SCHEMBL9030590 0.85 KLF5 (0.46) TRPM8MAPT
Hydrochloric Acid SCHEMBL9030592 0.85 KLF5 (0.46) TRPM8MAPT

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