SCHEMBL8795449

SCHEMBL8795449

c1csc(-c2ccc(OCCCc3c[nH]cn3)cc2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.52
HRH3 Q9Y5N1 1/20 0.52
HRH2 P25021 1/20 0.43
HRH1 P35367 1/20 0.43
ALDH1A1 P00352 4/20 0.43
KDM4E B2RXH2 3/20 0.43
HPGD P15428 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
TP53 P04637 1/20 0.43
MAPT P10636 7/20 0.39
LTA4H P09960 2/20 0.38
CYP1A2 P05177 2/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
NPSR1 Q6W5P4 2/20 0.38
LMNA P02545 1/20 0.38
THRB P10828 1/20 0.38
MAPK1 P28482 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
SCHEMBL7988256 0.77 HPGD (0.55) HRH2HRH1ALDH1A1KDM4EHPGD
SCHEMBL8795446 0.77 CYP2D6 (0.34) KCNH2HRH3CYP1A2CYP3A4CYP2D6
SCHEMBL4378023 0.76 CYP3A4 (0.40) KCNH2HRH3HRH2HRH1KDM4E
SCHEMBL4384300 0.75 LTA4H (0.51) KCNH2HRH3LTA4HPPARGPPARA
SCHEMBL7961327 0.75 RAB9A (0.43) KCNH2HRH3ALDH1A1HPGDRAB9A
SCHEMBL4380966 0.75 NQO1 (0.45) KCNH2HRH3ALDH1A1KDM4ESMN1; SMN2
SCHEMBL7987297 0.75 HRH3 (0.54) KCNH2HRH3ALDH1A1HPGDSMN1; SMN2
SCHEMBL6206282 0.74 KCNH2 (0.61) KCNH2HRH3HRH2HRH1ALDH1A1
SCHEMBL7977252 0.74 NOS1 (0.47) KCNH2LTA4HPPARA
SCHEMBL8793384 0.73 CYP3A4 (0.36) KCNH2HRH3HRH1KDM4ENPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
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 claimed