SCHEMBL5234543

SCHEMBL5234543

OCCOCCCC1CCCNC1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.42
KMT2A Q03164 2/20 0.40
NAAA Q02083 1/20 0.39
CHRNB2 P17787 3/20 0.38
CHRNA4 P43681 3/20 0.38
CHRNB4 P30926 2/20 0.38
CHRNA3 P32297 2/20 0.38
HRH4 Q9H3N8 2/20 0.38
CPN1 P15169 1/20 0.36
CPB2 Q96IY4 1/20 0.36
TSHR P16473 2/20 0.35
MAPK1 P28482 1/20 0.34
NPY1R P25929 5/20 0.33
EPHX1 P07099 1/20 0.33
MEN1 O00255 1/20 0.33
ACP1 P24666 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
SCHEMBL1071426 0.83 HRH3 (0.47) HRH3KMT2ANAAACHRNB2CHRNA4
SCHEMBL15358134 0.83 HRH3 (0.47) HRH3KMT2ANAAACHRNB2CHRNA4
SCHEMBL6050192 0.83 HRH3 (0.42) HRH3KMT2ANAAACHRNB2CHRNA4
SCHEMBL5236369 0.82 CHRNB2 (0.48) HRH3KMT2ACHRNB2CHRNA4CHRNB4
Hydrochloric Acid SCHEMBL7422319 0.82 HRH3 (0.46) HRH3KMT2ANAAACHRNB2CHRNA4
SCHEMBL2411749 0.82 HRH3 (0.46) HRH3KMT2ANAAACHRNB2CHRNA4
SCHEMBL13282815 0.81 HRH3 (0.47) HRH3KMT2ANAAACHRNB2CHRNA4
SCHEMBL4303428 0.80 NAAA (0.48) HRH3KMT2ANAAACHRNB2CHRNA4
SCHEMBL12557625 0.80 NAAA (0.48) HRH3KMT2ANAAACHRNB2CHRNA4
SCHEMBL13285747 0.79

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-1764367-A1 THIENOPYRIDINE DERIVATIVES Sankyo Company, Limited (JP) 2007-03-21 EP disclosed