SCHEMBL5202986

SCHEMBL5202986

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
LMNA P02545 1/20 0.39
TP53 P04637 3/20 0.38
HDAC4 P56524 1/20 0.38
RPS6KB1 P23443 3/20 0.38
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37
P2RX7 Q99572 1/20 0.37
ROCK2 O75116 4/20 0.36
AKT1 P31749 4/20 0.36
AKT2 P31751 3/20 0.36
KCNH2 Q12809 3/20 0.36
AKT3 Q9Y243 3/20 0.36
CNR1 P21554 3/20 0.36
CNR2 P34972 2/20 0.36
DRD2 P14416 1/20 0.36
DRD4 P21917 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
SCHEMBL5205537 0.86 HDAC4 (0.42) KMT2AMEN1RAB9ASMN1; SMN2LMNA
SCHEMBL5203070 0.78 TACR2 (0.38) KMT2AMEN1RAB9ASMN1; SMN2LMNA
SCHEMBL5202582 0.78 MEN1 (0.38) KMT2AMEN1RAB9ASMN1; SMN2TP53
SCHEMBL5202845 0.77 TRPV1 (0.40) P2RX7CNR1CNR2DRD2
SCHEMBL4829888 0.77 CNR1 (0.56) KCNH2CNR1CNR2
SCHEMBL5203716 0.77 OPRL1 (0.38) KMT2AMEN1RAB9ASMN1; SMN2TP53
SCHEMBL5203380 0.77 HDAC4 (0.42) SMN1; SMN2LMNATP53HDAC4SLC6A2
Hydrochloric Acid SCHEMBL4827960 0.76 CNR1 (0.55) KCNH2CNR1CNR2
SCHEMBL5200569 0.76 TRPA1 (0.46) SMN1; SMN2LMNAHDAC4SLC6A2SLC6A4
SCHEMBL5200534 0.76 DRD2 (0.39) KMT2AMEN1RAB9ASMN1; SMN2P2RX7

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 3 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