SCHEMBL5236369

SCHEMBL5236369

OCCOCC1CCCNC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 4/20 0.48
CHRNA4 P43681 4/20 0.48
CHRNB4 P30926 2/20 0.42
CHRNA3 P32297 2/20 0.42
CPN1 P15169 1/20 0.38
CPB2 Q96IY4 1/20 0.38
KMT2A Q03164 2/20 0.36
HRH4 Q9H3N8 2/20 0.35
HRH3 Q9Y5N1 2/20 0.35
EPHX1 P07099 1/20 0.35
MAP2K1 Q02750 1/20 0.35
CHRM2 P08172 1/20 0.34
CHRM1 P11229 1/20 0.34
CHRM3 P20309 1/20 0.34
EED O75530 1/20 0.34
PIM1 P11309 1/20 0.34
PIM2 Q9P1W9 1/20 0.34
IKBKB O14920 1/20 0.34
CHUK O15111 1/20 0.34
SLC6A1 P30531 2/20 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
SCHEMBL5234543 0.82 HRH3 (0.42) CHRNB2CHRNA4CHRNB4CHRNA3CPN1
SCHEMBL19959245 0.80 CHRNB2 (0.43) CHRNB2CHRNA4CHRNB4CHRNA3CPN1
SCHEMBL19959239 0.80 CHRNB2 (0.43) CHRNB2CHRNA4CHRNB4CHRNA3CPN1
SCHEMBL5236601 0.80 CHRNB2 (0.43) CHRNB2CHRNA4CHRNB4CHRNA3CPN1
SCHEMBL19959091 0.80 CHRNB2 (0.43) CHRNB2CHRNA4CHRNB4CHRNA3CPN1
SCHEMBL5230643 0.80 CHRNB2 (0.43) CHRNB2CHRNA4CHRNB4CHRNA3CPN1
SCHEMBL24138279 0.80
SCHEMBL5233144 0.79 CHRNB2 (0.43) CHRNB2CHRNA4CHRNB4CHRNA3CPN1
SCHEMBL4592512 0.78
SCHEMBL13610211 0.77 ALDH1A1 (0.46) CHRNB2CHRNA4CHRNB4CHRNA3KMT2A

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
CN-1968954-A Thienopyridine Derivatives SANKYO CO (JP) 2007-05-23 CN disclosed
EP-1764367-A1 THIENOPYRIDINE DERIVATIVES Sankyo Company, Limited (JP) 2007-03-21 EP disclosed