SCHEMBL5205537

SCHEMBL5205537

CC(c1ccc(Cl)cc1)C(CNC(=O)C1(O)CCCCC1)c1ccc(Cl)cc1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 1/20 0.42
TP53 P04637 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
MEN1 O00255 1/20 0.41
RAB9A P51151 1/20 0.41
KMT2A Q03164 1/20 0.41
SLC6A2 P23975 2/20 0.40
SLC6A4 P31645 1/20 0.40
LMNA P02545 2/20 0.39
GAA P10253 3/20 0.38
NPSR1 Q6W5P4 1/20 0.38
P2RX7 Q99572 3/20 0.38
ALDH1A1 P00352 1/20 0.37
DRD2 P14416 1/20 0.37
DRD4 P21917 1/20 0.37
THRB P10828 1/20 0.36
HPGD P15428 1/20 0.36
TRPA1 O75762 1/20 0.36

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
SCHEMBL5202986 0.86 KMT2A (0.40) HDAC4TP53SMN1; SMN2MEN1RAB9A
SCHEMBL5203380 0.80 HDAC4 (0.42) HDAC4TP53SMN1; SMN2SLC6A2SLC6A4
SCHEMBL5200569 0.80 TRPA1 (0.46) HDAC4SMN1; SMN2SLC6A2SLC6A4LMNA
SCHEMBL5202582 0.79 MEN1 (0.38) TP53SMN1; SMN2MEN1RAB9AKMT2A
SCHEMBL5266049 0.78 RAB9A (0.60) TP53SMN1; SMN2MEN1RAB9AKMT2A
SCHEMBL5202845 0.78 TRPV1 (0.40) GAAP2RX7DRD2
SCHEMBL5200534 0.77 DRD2 (0.39) SMN1; SMN2MEN1RAB9AKMT2AGAA
SCHEMBL5203070 0.77 TACR2 (0.38) HDAC4TP53SMN1; SMN2MEN1RAB9A
SCHEMBL4821601 0.77 CNR1 (0.54)
SCHEMBL5200440 0.76 ALDH1A1 (0.48) HDAC4TP53SMN1; SMN2LMNANPSR1

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