SCHEMBL17927933

SCHEMBL17927933

O=C(O)C1=C(c2ccccc2)CCBC1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ SLC6A2 P23975 1/20 0.43
▸ SLC6A4 P31645 1/20 0.43
▸ SLC6A3 Q01959 1/20 0.43
▸ CFTR P13569 1/20 0.39
▸ GOPC Q9HD26 1/20 0.39
▸ DHODH Q02127 3/20 0.37
▸ CHRM2 P08172 9/20 0.35
▸ CHRM4 P08173 9/20 0.35
▸ CHRM5 P08912 9/20 0.35
▸ CHRM1 P11229 9/20 0.35
▸ CHRM3 P20309 9/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ FABP4 P15090 1/20 0.33
▸ FABP5 Q01469 1/20 0.33
▸ KMO O15229 1/20 0.32

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
SCHEMBL10384372 0.77 SLC6A2 (0.50) SLC6A2SLC6A4SLC6A3CFTRGOPC
SCHEMBL4350863 0.73 SLC6A3 (0.65) SLC6A2SLC6A4SLC6A3CFTRGOPC
SCHEMBL1752157 0.73 SLC6A3 (0.65) SLC6A2SLC6A4SLC6A3CFTRGOPC
SCHEMBL1752156 0.73 SLC6A3 (0.65) SLC6A2SLC6A4SLC6A3CFTRGOPC
SCHEMBL1751726 0.73 SLC6A3 (0.60) SLC6A2SLC6A4SLC6A3DHODHFABP4
SCHEMBL1751676 0.73 SLC6A3 (0.65) SLC6A2SLC6A4SLC6A3CFTRGOPC
SCHEMBL1751614 0.73 SLC6A3 (0.65) SLC6A2SLC6A4SLC6A3CFTRGOPC
SCHEMBL4350872 0.73 SLC6A3 (0.65) SLC6A2SLC6A4SLC6A3CFTRGOPC
SCHEMBL8905393 0.70 CFTR (0.50) SLC6A2SLC6A4SLC6A3CFTRGOPC
SCHEMBL10369788 0.68 SLC6A2 (0.46) SLC6A2SLC6A4SLC6A3DHODHCHRM2

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-3045448-A1 NITROGEN-CONTAINING SATURATED HETEROCYCLIC COMPOUND Sumitomo Chemical Company Limited (JP) 2016-07-20 — — EP disclosed
Send feedback