SCHEMBL5206255

SCHEMBL5206255

CC(c1ccc(Cl)cc1)C(CNC(=O)C1CCC(C(=O)c2ccccc2)C1)c1ccc(Cl)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
MGLL Q99685 1/20 0.40
GAA P10253 1/20 0.39
HPGD P15428 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
KCNH2 Q12809 1/20 0.39
TP53 P04637 1/20 0.39
SLC6A2 P23975 2/20 0.38
SLC6A4 P31645 2/20 0.38
SLC6A3 Q01959 2/20 0.38
CCR1 P32246 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
TSHR P16473 1/20 0.38
CYP2C19 P33261 1/20 0.38
CNR1 P21554 1/20 0.38
CNR2 P34972 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
SCHEMBL5205796 0.96 HPGD (0.46) MEN1KMT2AMGLLGAAHPGD
SCHEMBL5200515 0.93 MGLL (0.44) MEN1KMT2AMGLLGAAHPGD
SCHEMBL4829860 0.79 CNR1 (0.52) CNR1CNR2
SCHEMBL5205656 0.78 SIGMAR1 (0.52)
SCHEMBL5262774 0.77 SLC6A9 (0.54) MEN1KMT2AGAASMN1; SMN2TP53
SCHEMBL5200358 0.76 SMN1; SMN2 (0.41) MEN1KMT2AGAAHPGDSMN1; SMN2
SCHEMBL4825560 0.75 CNR1 (0.50) GAAHPGDSMN1; SMN2CNR1CNR2
SCHEMBL5479926 0.74 PRMT5 (0.42) GAAHPGDSMN1; SMN2KCNA5
SCHEMBL5489953 0.74 TP53 (0.53) TP53
SCHEMBL5203464 0.73 ALDH1A1 (0.48) MEN1KMT2AGAAHPGDSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1490043-A4 SPIROCYCLIC AMIDES AS CANNABINOID RECEPTOR MODULATORS MERCK & CO INC (US) 2007-05-30 EP claimed
EP-1490043-A2 SPIROCYCLIC AMIDES AS CANNABINOID RECEPTOR MODULATORS Merck & Co., Inc. (US) 2004-12-29 EP claimed
WO-2003082190-A2 SPIROCYCLIC AMIDES AS CANNABINOID RECEPTOR MODULATORS MERCK & CO., INC. (US) 2003-10-09 WO claimed
EP-1490043-A4 SPIROCYCLIC AMIDES AS CANNABINOID RECEPTOR MODULATORS MERCK & CO INC (US) 2007-05-30 EP disclosed
EP-1490043-A2 SPIROCYCLIC AMIDES AS CANNABINOID RECEPTOR MODULATORS Merck & Co., Inc. (US) 2004-12-29 EP disclosed
WO-2003082190-A2 SPIROCYCLIC AMIDES AS CANNABINOID RECEPTOR MODULATORS MERCK & CO., INC. (US) 2003-10-09 WO disclosed