SCHEMBL900681

SCHEMBL900681

CN1CCC(OC(c2cccc(N3CCOCC3)c2)c2nc3ccccc3s2)CC1.CN1CCC(OC(c2cccc(OCCO)c2)c2nc3ccccc3s2)CC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.37
SMN1; SMN2 Q16637 3/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
MAPT P10636 2/20 0.36
PSMD14 O00487 1/20 0.36
PRKDC P78527 1/20 0.36
NPC1 O15118 3/20 0.35
RAB9A P51151 3/20 0.35
HCAR2 Q8TDS4 2/20 0.35
HCAR1 Q9BXC0 2/20 0.35
HTR1A P08908 2/20 0.35
SLC6A2 P23975 2/20 0.35
SLC6A3 Q01959 2/20 0.35
LRRK2 Q5S007 2/20 0.35
CHRM2 P08172 1/20 0.35
ADRA2A P08913 1/20 0.35
CYP2D6 P10635 1/20 0.35
CHRM1 P11229 1/20 0.35
DRD1 P21728 1/20 0.35

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
SCHEMBL2722508 0.91 OPRM1 (0.42) LTA4HSMN1; SMN2MEN1KMT2AMAPT
SCHEMBL2720750 0.90 SLC6A3 (0.43) SMN1; SMN2MEN1KMT2AMAPTPSMD14
SCHEMBL900449 0.87 CYP2D6 (0.42) LTA4HSMN1; SMN2MEN1KMT2AMAPT
SCHEMBL901252 0.86 LTA4H (0.45) LTA4HSMN1; SMN2HTR1ASLC6A2SLC6A3
SCHEMBL2720478 0.86 EBP (0.42) LTA4HSMN1; SMN2MEN1KMT2AMAPT
SCHEMBL901074 0.86 ALDH1A1 (0.46) LTA4HSMN1; SMN2MEN1KMT2AHTR1A
SCHEMBL2722120 0.84 KCNH2 (0.42) LTA4HSMN1; SMN2MAPTRAB9AHTR1A
SCHEMBL900712 0.83 CYP2D6 (0.43) LTA4HSMN1; SMN2KMT2AMAPTRAB9A
SCHEMBL2722162 0.83 CYP2D6 (0.43) LTA4HSMN1; SMN2MAPTRAB9AHTR1A
Oxalic Acid SCHEMBL2720278 0.83 MEN1 (0.47) LTA4HSMN1; SMN2MEN1KMT2ANPC1

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-2621916-A1 BENZAZOLE DERIVATIVES AS HISTAMINE H4 RECEPTOR LIGANDS BIOPROJET (FR) 2013-08-07 EP claimed
WO-2012041860-A1 BENZAZOLE DERIVATIVES AS HISTAMINE H4 RECEPTOR LIGANDS BIOPROJET (FR) 2012-04-05 WO claimed