SCHEMBL9848074

SCHEMBL9848074

CCCCCC(N)c1cccc(C)c1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 1/20 0.46
CA2 P00918 2/20 0.42
AOC3 Q16853 1/20 0.40
CYP19A1 P11511 2/20 0.38
TLR8 Q9NR97 1/20 0.37
ACHE P22303 1/20 0.37
OPRM1 P35372 3/20 0.36
OPRD1 P41143 2/20 0.36
OPRK1 P41145 2/20 0.36
OPRL1 P41146 2/20 0.36
CSNK1E P49674 1/20 0.36
PSEN1 P49768 1/20 0.36
PSEN2 P49810 1/20 0.36
APH1B Q8WW43 1/20 0.36
NCSTN Q92542 1/20 0.36
APH1A Q96BI3 1/20 0.36
PSENEN Q9NZ42 1/20 0.36

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
SCHEMBL12056788 0.87 AOC3 (0.42) AOC3CYP19A1ACHEPSEN1PSEN2
SCHEMBL28337706 0.87 AOC3 (0.42) AOC3CYP19A1ACHEPSEN1PSEN2
SCHEMBL28337687 0.87 AOC3 (0.42) AOC3CYP19A1ACHEPSEN1PSEN2
SCHEMBL9439864 0.83 SLC2A1 (0.46) SLC2A1CA2CSNK1E
SCHEMBL29291019 0.82 CYP19A1 (0.52) AOC3CYP19A1ACHEPSEN1PSEN2
SCHEMBL20274525 0.82 TAAR1 (0.47) AOC3CYP19A1ACHE
SCHEMBL1419336 0.81 SLC2A1 (0.45) SLC2A1CA2OPRM1OPRD1OPRK1
SCHEMBL8860503 0.81 CYP19A1 (0.51) CYP19A1ACHE
SCHEMBL8860487 0.81 CYP19A1 (0.51) CYP19A1ACHE
SCHEMBL9796230 0.81 MAPK1 (0.46) CA2

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-0415123-A2 1-Phenylalkyl-3-phenylurea derivatives Mitsubishi Chemical Corporation (JP) 1991-03-06 EP disclosed