SCHEMBL5205599

SCHEMBL5205599

CC(c1ccc(Cl)cc1)C(CNC(=O)C1CCC(=O)N1)c1ccc(Cl)cc1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.41
POLB P06746 1/20 0.38
KCNA5 P22460 1/20 0.38
GAA P10253 1/20 0.38
HPGD P15428 1/20 0.38
TSHR P16473 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
NTRK1 P04629 1/20 0.37
ACACB O00763 5/20 0.36
RAB9A P51151 1/20 0.36
CACNA1G O43497 2/20 0.34

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
SCHEMBL5200358 0.78 SMN1; SMN2 (0.41) SMN1; SMN2KCNA5GAAHPGDMEN1
SCHEMBL14064695 0.78 CNR1 (0.49) ACACB
SCHEMBL4829864 0.78 CNR1 (0.49) ACACB
SCHEMBL11742337 0.76 SMN1; SMN2 (0.46) SMN1; SMN2POLBMEN1KMT2ANTRK1
SCHEMBL5201159 0.74 PKM (0.48) SMN1; SMN2POLBGAAHPGDTSHR
SCHEMBL4689271 0.73 RAB9A (0.48) SMN1; SMN2GAAHPGDMEN1KMT2A
SCHEMBL5479926 0.73 PRMT5 (0.42) SMN1; SMN2POLBKCNA5GAAHPGD
SCHEMBL5200515 0.73 MGLL (0.44) SMN1; SMN2GAAHPGDMEN1KMT2A
SCHEMBL5266049 0.72 RAB9A (0.60) SMN1; SMN2HPGDTSHRMEN1KMT2A
SCHEMBL5203471 0.72 TP53 (0.43) SMN1; SMN2GAAHPGDTSHRMEN1

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