SCHEMBL4386660

SCHEMBL4386660

FC(F)(F)c1cccc(C(S)Cc2c[nH]cn2)c1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PNMT P11086 1/20 0.43
ACP3 P15309 3/20 0.37
IDO1 P14902 1/20 0.36
TDO2 P48775 1/20 0.36
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
HTR2B P41595 1/20 0.35
CES2 O00748 1/20 0.35
KCNA5 P22460 1/20 0.35
DAO P14920 1/20 0.34
SLC6A4 P31645 1/20 0.34
MC4R P32245 1/20 0.34
HSD11B1 P28845 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
HDAC5 Q9UQL6 1/20 0.33

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
SCHEMBL4379715 0.74 HTR2A (0.40) PNMTHTR2AHTR2CHTR2BDAO
SCHEMBL223971 0.72 TAAR1 (0.51) ACP3IDO1HTR2AHTR2CHTR2B
SCHEMBL7990863 0.72 PNMT (0.37) PNMTIDO1TDO2MC4R
SCHEMBL4378576 0.72 PNMT (0.37) PNMTIDO1TDO2SLC6A4MC4R
SCHEMBL6914643 0.71 PNMT (0.47) PNMTACP3IDO1TDO2HTR2A
SCHEMBL224970 0.71 LMNA (0.50) HTR2C
SCHEMBL2105356 0.71 PNMT (0.43) PNMTACP3IDO1TDO2DAO
Hydrochloric Acid SCHEMBL1438646 0.70 PNMT (0.46) PNMTACP3IDO1TDO2HTR2A
Oxalic Acid SCHEMBL7989028 0.69 ATM (0.42) HTR2AHTR2CHTR2B
SCHEMBL9368596 0.69 PARP1 (0.41)

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-0760811-B1 IMIDAZOLE DERIVATIVES AS HISTAMINE RECEPTOR H3 MODULATORS INST NAT SANTE RECH MED (FR) 2009-11-18 EP disclosed
EP-0760811-A1 IMIDAZOLE DERIVATIVES AS HISTAMINE RECEPTOR H 3? (ANT)AGONISTS INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 1997-03-12 EP disclosed
WO-1996029315-A2 IMIDAZOLE DERIVATIVES AS HISTAMINE RECEPTOR H3 (ANT)AGONISTS INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (FR) 1996-09-26 WO disclosed