SCHEMBL5233945

SCHEMBL5233945

CN(C)CCOCCCC1CCCNC1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.41
HRH3 Q9Y5N1 3/20 0.40
HRH4 Q9H3N8 2/20 0.35
KMT2A Q03164 1/20 0.35
NAAA Q02083 1/20 0.34
ACP1 P24666 4/20 0.34
EED O75530 1/20 0.33
TLR7 Q9NYK1 1/20 0.33
CHRNB2 P17787 1/20 0.32
CHRNA4 P43681 1/20 0.32
NPY1R P25929 5/20 0.32
CPN1 P15169 1/20 0.31
CPB2 Q96IY4 1/20 0.31

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
SCHEMBL5237679 0.94 SIGMAR1 (0.45) SIGMAR1HRH3HRH4KMT2ANAAA
SCHEMBL9676206 0.85 SIGMAR1 (0.52) SIGMAR1HRH3HRH4KMT2ANAAA
SCHEMBL9675697 0.83 SIGMAR1 (0.59) SIGMAR1HRH3HRH4KMT2ANAAA
SCHEMBL6050192 0.82 HRH3 (0.42) HRH3HRH4KMT2ANAAAACP1
SCHEMBL2921249 0.81 HRH3 (0.41) SIGMAR1HRH3HRH4KMT2ANAAA
SCHEMBL13282815 0.80 HRH3 (0.47) HRH3HRH4KMT2ANAAAACP1
Hydrochloric Acid SCHEMBL30911772 0.80 HRH3 (0.41) SIGMAR1HRH3HRH4KMT2ANAAA
SCHEMBL5233843 0.79 CHRNB2 (0.41) SIGMAR1HRH3HRH4EEDCHRNB2
SCHEMBL9727916 0.79 SIGMAR1 (0.42) SIGMAR1HRH3HRH4KMT2ANAAA
SCHEMBL5234543 0.79 HRH3 (0.42) HRH3HRH4KMT2ANAAAACP1

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