SCHEMBL4683728

SCHEMBL4683728

CC(C)(C)[Si](C)(C)OCCNC(=O)c1ccnc(NCCc2ccccc2)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 2/20 0.43
ADRA2B P18089 1/20 0.43
ADRA2C P18825 1/20 0.43
SLC6A2 P23975 1/20 0.43
HRH2 P25021 1/20 0.43
HTR1D P28221 1/20 0.43
HTR2A P28223 1/20 0.43
HTR2C P28335 1/20 0.43
HTR2B P41595 1/20 0.43
HTR5A P47898 1/20 0.43
HTR6 P50406 1/20 0.43
SLC6A3 Q01959 1/20 0.43
TMEM97 Q5BJF2 1/20 0.43
SIGMAR1 Q99720 1/20 0.43
HRH4 Q9H3N8 1/20 0.43
HRH3 Q9Y5N1 1/20 0.43
CASR P41180 2/20 0.42
RAB9A P51151 5/20 0.42
NPC1 O15118 4/20 0.42
OGA O60502 3/20 0.41

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
SCHEMBL6081688 0.81 MAPK14 (0.44) HTR7HTR2CHDAC3HDAC1HDAC2
SCHEMBL4644151 0.73 RAB9A (0.45) HTR7ADRA2BADRA2CSLC6A2HRH2
SCHEMBL6027180 0.72 P2RX7 (0.51) HTR2ARAB9ANPC1SMN1; SMN2LMNA
SCHEMBL12233647 0.70 CYP4F2 (0.41) RAB9ANPC1SMN1; SMN2LMNA
SCHEMBL3427156 0.69 SMN1; SMN2 (0.63) SMN1; SMN2LMNA
SCHEMBL6027092 0.68 P2RX7 (0.46) HTR2ARAB9ANPC1SMN1; SMN2LMNA
SCHEMBL30807261 0.68 SMN1; SMN2 (0.57) HTR2AHDAC3HDAC1HDAC2HDAC6
SCHEMBL30938203 0.67 SMN1; SMN2 (0.44) SMN1; SMN2KDM4ELMNA
SCHEMBL19438891 0.67 CHRNB2 (0.57) SIGMAR1RAB9ANPC1HDAC3HDAC1
SCHEMBL9185281 0.67 IDO1 (0.42) RAB9ANPC1SMN1; SMN2

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-1675830-A4 HETEROCYCLIC AMIDES AND SULFONAMIDES SCIOS INC (US) 2008-08-20 EP disclosed
EP-1675830-A2 HETEROCYCLIC AMIDES AND SULFONAMIDES SCIOS INC. (US) 2006-07-05 EP disclosed
WO-2005033072-A2 HETEROCYCLIC AMIDES AND SULFONAMIDES SCIOS INC. (US) 2005-04-14 WO disclosed