SCHEMBL3534362

SCHEMBL3534362

CNC(C)CCOc1ccc2c(cnn2S(=O)(=O)c2ccccc2)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 6/20 0.39
PDE3B Q13370 1/20 0.38
PDE3A Q14432 1/20 0.38
P2RY12 Q9H244 1/20 0.38
HDAC3 O15379 2/20 0.38
HDAC4 P56524 2/20 0.38
HDAC1 Q13547 2/20 0.38
HDAC7 Q8WUI4 2/20 0.38
HDAC2 Q92769 2/20 0.38
HDAC10 Q969S8 2/20 0.38
HDAC11 Q96DB2 2/20 0.38
HDAC8 Q9BY41 2/20 0.38
HDAC6 Q9UBN7 2/20 0.38
HDAC9 Q9UKV0 2/20 0.38
HDAC5 Q9UQL6 2/20 0.38
CYP1A2 P05177 2/20 0.38
CYP2C9 P11712 2/20 0.38
CYP2C19 P33261 2/20 0.38
HTR6 P50406 2/20 0.38
POLB P06746 1/20 0.38

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
SCHEMBL3532185 0.85 HTR6 (0.45) PDE3BPDE3AP2RY12HDAC3HDAC4
SCHEMBL3533173 0.84 OPRD1 (0.39) OPRD1PDE3BPDE3AP2RY12HDAC3
SCHEMBL3530480 0.83 HTR6 (0.39) OPRD1PDE3BPDE3AP2RY12HDAC3
SCHEMBL3535203 0.82 FGFR1 (0.44) PDE3BPDE3AP2RY12HDAC3HDAC4
SCHEMBL3533707 0.81 HTR6 (0.40) OPRD1PDE3BPDE3AP2RY12HDAC3
SCHEMBL3536803 0.81 KDM4E (0.50) HTR6POLBL3MBTL1
SCHEMBL3534708 0.79 HTR6 (0.45) CYP1A2CYP2C9CYP2C19HTR6CYP2D6
SCHEMBL3536219 0.79 ALDH1A1 (0.42) PDE3BPDE3AP2RY12HTR6
SCHEMBL3531385 0.78 CHRNB2 (0.42) PDE3BPDE3AP2RY12HTR6POLB
SCHEMBL3534825 0.78 MAOB (0.43) OPRD1HDAC3HDAC4HDAC1HDAC7

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7723329-B2 Substituted-3-sulfonylindazole derivatives as 5-hydroxytryptamine-6 ligands WYETH LLC (US) 2010-05-25 US claimed