SCHEMBL5203472

SCHEMBL5203472

CC(c1ccc(Cl)cc1)C(CNC(=O)C1(C)CCC(=O)N1)c1ccc(Cl)cc1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
P2RX7 Q99572 4/20 0.35
HSD11B1 P28845 2/20 0.34
ALDH1A1 P00352 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
NPC1 O15118 1/20 0.32
LMNA P02545 1/20 0.32
ALOX12 P18054 1/20 0.32
KCNH2 Q12809 1/20 0.32
AKT1 P31749 1/20 0.32
AKT2 P31751 1/20 0.32
AKT3 Q9Y243 1/20 0.32
CNR1 P21554 3/20 0.32
CNR2 P34972 2/20 0.32
TP53 P04637 1/20 0.32
FDFT1 P37268 1/20 0.32

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
SCHEMBL14064697 0.79 CNR1 (0.49) CNR1CNR2FDFT1
SCHEMBL4831399 0.79 CNR1 (0.49) CNR1CNR2FDFT1
SCHEMBL5205537 0.75 HDAC4 (0.42) RAB9AMEN1KMT2ASMN1; SMN2P2RX7
SCHEMBL5202986 0.74 KMT2A (0.40) RAB9AMEN1KMT2ASMN1; SMN2P2RX7
SCHEMBL5202582 0.74 MEN1 (0.38) RAB9AMEN1KMT2ASMN1; SMN2P2RX7
SCHEMBL5200569 0.73 TRPA1 (0.46) SMN1; SMN2ALDH1A1LMNAKCNH2
SCHEMBL5205599 0.72 SMN1; SMN2 (0.41) RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL5480925 0.72 PPARA (0.36) RAB9AMEN1KMT2ASMN1; SMN2P2RX7
SCHEMBL5266049 0.71 RAB9A (0.60) RAB9AMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL4694021 0.69 RAB9A (0.43) RAB9AMEN1KMT2ASMN1; SMN2ALDH1A1

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