SCHEMBL4390107

SCHEMBL4390107

S=Cc1ccc(OCCCc2c[nH]cn2)cc1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.38
HRH3 Q9Y5N1 2/20 0.35
CYP3A4 P08684 2/20 0.34
CYP2D6 P10635 2/20 0.34
CYP2C9 P11712 2/20 0.34
PTPN1 P18031 1/20 0.33
HPGD P15428 1/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 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
Oxalic Acid SCHEMBL7976828 0.92 HRH3 (0.36) HRH3
SCHEMBL4384169 0.85 ALDH1A1 (0.48) KCNH2CYP3A4CYP2D6CYP2C9HPGD
SCHEMBL4379690 0.82 KMT2A (0.52) KCNH2MEN1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL4381291 0.81 HRH4 (0.35) KCNH2HRH3PTPN1HPGDALDH1A1
SCHEMBL4381289 0.81 HRH4 (0.35) KCNH2HRH3PTPN1HPGDALDH1A1
SCHEMBL4380966 0.80 NQO1 (0.45) KCNH2HRH3CYP3A4CYP2D6CYP2C9
SCHEMBL7961327 0.80 RAB9A (0.43) KCNH2HRH3HPGDMEN1ALDH1A1
SCHEMBL7987297 0.80 HRH3 (0.54) KCNH2HRH3CYP3A4CYP2C9HPGD
SCHEMBL4381458 0.80 GAA (0.40) KCNH2HRH3MEN1KMT2A
SCHEMBL4376189 0.78 KCNH2 (0.37) KCNH2HRH3CYP3A4CYP2D6CYP2C9

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 1 patent. 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