SCHEMBL5200534

SCHEMBL5200534

CC(c1ccc(Cl)cc1)C(CNC(=O)C1(NC(=O)OC(C)(C)C)CCCC1)c1ccc(Cl)cc1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 5/20 0.39
GAA P10253 1/20 0.39
TRPV1 Q8NER1 1/20 0.39
PPARG P37231 1/20 0.36
PPARA Q07869 1/20 0.36
P2RX7 Q99572 1/20 0.36
CNR1 P21554 3/20 0.36
CNR2 P34972 2/20 0.36
CTSL P07711 4/20 0.36
CTSK P43235 1/20 0.36
CACNA1B Q00975 1/20 0.36
CTSB P07858 1/20 0.35
CTSS P25774 1/20 0.35
MEN1 O00255 1/20 0.35
RAB9A P51151 1/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL5202845 0.99 TRPV1 (0.40) DRD2GAATRPV1PPARGPPARA
SCHEMBL4829815 0.82 CNR1 (0.54) CNR1CNR2
SCHEMBL4829908 0.81 CNR1 (0.53) CNR1CNR2
SCHEMBL5205537 0.77 HDAC4 (0.42) DRD2GAAP2RX7MEN1RAB9A
SCHEMBL5202986 0.76 KMT2A (0.40) DRD2P2RX7CNR1CNR2MEN1
SCHEMBL27078070 0.72 BDKRB1 (0.41) CTSLCTSKCTSBCTSSKMT2A
SCHEMBL27078065 0.72 BDKRB1 (0.41) CTSLCTSKCTSBCTSSKMT2A
SCHEMBL5203716 0.72 OPRL1 (0.38) GAACNR1MEN1RAB9AKMT2A
SCHEMBL4687654 0.72 CYP3A4 (0.48) DRD2
SCHEMBL27078022 0.72 BDKRB1 (0.41) TRPV1CTSLCTSKCTSBCTSS

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