SCHEMBL4379250

SCHEMBL4379250

COc1ccc(CCC(CCCc2c[nH]cn2)OC(CCCc2c[nH]cn2)CCc2ccc(OC)cc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CALM1 P0DP23 1/20 0.37
TAAR1 Q96RJ0 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
POLB P06746 2/20 0.35
KDM4E B2RXH2 1/20 0.35
MAPT P10636 1/20 0.35
MAPK1 P28482 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
HRH3 Q9Y5N1 2/20 0.35
ALDH1A1 P00352 1/20 0.34
MAOB P27338 1/20 0.34
GSK3A P49840 1/20 0.34
GSK3B P49841 1/20 0.34
IGF1R P08069 1/20 0.34
ALOX15 P16050 1/20 0.34
DAO P14920 1/20 0.34

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
SCHEMBL8794072 0.91 SIGMAR1 (0.41) SIGMAR1KMT2APOLBKDM4EMAPK1
SCHEMBL4381406 0.87 CYP19A1 (0.32) TAAR1
SCHEMBL8118972 0.80 HMOX1 (0.34) SMN1; SMN2TAAR1SIGMAR1MAPK1L3MBTL1
SCHEMBL7988592 0.80 TDP1 (0.45) SMN1; SMN2CALM1TAAR1SIGMAR1MEN1
SCHEMBL650316 0.80 PPARG (0.38) TAAR1SIGMAR1HRH3MAOBIGF1R
SCHEMBL9119587 0.80 CYP19A1 (0.49) HTTMEN1KMT2AMAPTMAPK1
SCHEMBL8114784 0.80 CYP19A1 (0.41) TAAR1SIGMAR1
SCHEMBL8105600 0.80 CYP19A1 (0.36) SIGMAR1HRH3
SCHEMBL4394415 0.78
SCHEMBL4385144 0.78

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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