SCHEMBL5202845

SCHEMBL5202845

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

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.40
DRD2 P14416 5/20 0.39
GAA P10253 1/20 0.38
P2RX7 Q99572 1/20 0.37
CTSL P07711 4/20 0.37
CTSK P43235 2/20 0.37
CTSB P07858 2/20 0.37
CTSS P25774 2/20 0.37
PPARG P37231 1/20 0.36
PPARA Q07869 1/20 0.36
CNR1 P21554 3/20 0.35
CNR2 P34972 2/20 0.35
CACNA1B Q00975 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
SCHEMBL5200534 0.99 DRD2 (0.39) TRPV1DRD2GAAP2RX7CTSL
SCHEMBL4829908 0.82 CNR1 (0.53) CNR1CNR2
SCHEMBL4829815 0.81 CNR1 (0.54) CNR1CNR2
SCHEMBL5205537 0.78 HDAC4 (0.42) DRD2GAAP2RX7
SCHEMBL5202986 0.77 KMT2A (0.40) DRD2P2RX7CNR1CNR2
SCHEMBL27078022 0.73 BDKRB1 (0.41) TRPV1CTSLCTSKCTSBCTSS
SCHEMBL27078026 0.73 BDKRB1 (0.41) TRPV1CTSLCTSKCTSBCTSS
SCHEMBL5203070 0.73 TACR2 (0.38) GAA
SCHEMBL27078065 0.72 BDKRB1 (0.41) CTSLCTSKCTSBCTSS
SCHEMBL27078070 0.72 BDKRB1 (0.41) CTSLCTSKCTSBCTSS

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