SCHEMBL9044015

SCHEMBL9044015

COC(=O)C1(C)CCC(NCc2ccccc2)CC1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 2/20 0.53
OPRL1 P41146 2/20 0.53
TMEM97 Q5BJF2 1/20 0.48
GRIN2B Q13224 2/20 0.48
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
ACHE P22303 2/20 0.44
BACE1 P56817 2/20 0.44
BCHE P06276 1/20 0.44
RAB9A P51151 1/20 0.44
FABP6 P51161 1/20 0.43
CARM1 Q86X55 1/20 0.43
PRMT6 Q96LA8 1/20 0.43
CCR2 P41597 1/20 0.43
DRD4 P21917 1/20 0.43
EPHX1 P07099 1/20 0.43
HPGD P15428 1/20 0.43

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
SCHEMBL20818770 0.88 OPRM1 (0.50) OPRM1OPRL1TMEM97GRIN2BMEN1
SCHEMBL20818773 0.88 OPRM1 (0.50) OPRM1OPRL1TMEM97GRIN2BMEN1
SCHEMBL20818946 0.88 OPRM1 (0.50) OPRM1OPRL1TMEM97GRIN2BMEN1
SCHEMBL20818793 0.87 OPRM1 (0.57) OPRM1OPRL1TMEM97GRIN2BMEN1
SCHEMBL20818791 0.87 OPRM1 (0.57) OPRM1OPRL1TMEM97GRIN2BMEN1
SCHEMBL20819030 0.87 OPRM1 (0.57) OPRM1OPRL1TMEM97GRIN2BMEN1
SCHEMBL3644107 0.85 OPRM1 (0.52) OPRM1OPRL1TMEM97GRIN2BMEN1
SCHEMBL17650912 0.84 OPRM1 (0.55) OPRM1OPRL1TMEM97GRIN2BMEN1
SCHEMBL17650910 0.84 OPRM1 (0.55) OPRM1OPRL1TMEM97GRIN2BMEN1
SCHEMBL15534738 0.82 CXCR4 (0.48) MEN1KMT2ARAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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