SCHEMBL9665686

SCHEMBL9665686

[CH](OC1CCCc2ccccc21)c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 4/20 0.58
SMN1; SMN2 Q16637 1/20 0.44
GPR84 Q9NQS5 1/20 0.40
SLC6A4 P31645 1/20 0.40
HTT P42858 1/20 0.39
FFAR1 O14842 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
GID4 Q8IVV7 1/20 0.38
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
CAMK2A Q9UQM7 1/20 0.37
TAS1R3 Q7RTX0 1/20 0.36
TAS1R1 Q7RTX1 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
SCHEMBL4209937 0.81 IDO1 (0.64) IDO1GPR84SLC6A4HTTMEN1
SCHEMBL242245 0.80 IDO1 (0.62) IDO1SMN1; SMN2GPR84SLC6A4HTT
SCHEMBL15330041 0.77 IDO1 (0.72) IDO1GPR84SLC6A4HTTGID4
SCHEMBL180403 0.77 IDO1 (0.72) IDO1GPR84SLC6A4HTTGID4
SCHEMBL17319346 0.75 IDO1 (0.64) IDO1GPR84SLC6A4HTTFFAR1
SCHEMBL17115833 0.74 IDO1 (0.68) IDO1GPR84SLC6A4HTTFFAR1
SCHEMBL2472307 0.74 IDO1 (0.68) IDO1GPR84SLC6A4HTTFFAR1
SCHEMBL7710711 0.74 IDO1 (0.68) IDO1GPR84SLC6A4HTTFFAR1
SCHEMBL12727345 0.74 IDO1 (0.68) IDO1GPR84SLC6A4HTTFFAR1
SCHEMBL298463 0.74 IDO1 (0.68) IDO1GPR84SLC6A4HTTFFAR1

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-0485026-A2 Antimanic phenoxymethylene bisphosphonate derivatives MERCK SHARP & DOHME LTD. (GB) 1992-05-13 EP disclosed