SCHEMBL28983000

SCHEMBL28983000

CCCCCC(O)(C#N)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 2/20 0.46
▸ EBP Q15125 1/20 0.46
▸ CHRM3 P20309 5/20 0.44
▸ CHRM2 P08172 3/20 0.44
▸ GAA P10253 1/20 0.41
▸ CCR1 P32246 1/20 0.40
▸ CYP2D6 P10635 2/20 0.40
▸ DRD2 P14416 1/20 0.40
▸ DRD4 P21917 1/20 0.40
▸ OPRM1 P35372 1/20 0.40
▸ DRD3 P35462 1/20 0.40
▸ CYP3A4 P08684 1/20 0.38
▸ ATM Q13315 2/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ SCN5A Q14524 3/20 0.38
▸ SCN9A Q15858 3/20 0.38
▸ CNR1 P21554 1/20 0.36
▸ CNR2 P34972 1/20 0.36
▸ CHRM4 P08173 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
SCHEMBL12099349 0.83 CHRM2 (0.44) SIGMAR1EBPCHRM3CHRM2GAA
SCHEMBL9277669 0.81 CHRM2 (0.44) SIGMAR1EBPCHRM3CHRM2GAA
SCHEMBL15875035 0.81 CHRM2 (0.44) SIGMAR1EBPCHRM3CHRM2GAA
SCHEMBL8755602 0.80 CYP2D6 (0.42) SIGMAR1CYP2D6DRD2DRD4OPRM1
SCHEMBL11151616 0.79 SIGMAR1 (0.48) SIGMAR1EBPCHRM3GAACCR1
SCHEMBL29211095 0.78 CHRM2 (0.46) SIGMAR1CHRM3CHRM2GAASCN5A
SCHEMBL9000665 0.77 CHRM2 (0.43) SIGMAR1CHRM3CHRM2GAACYP2D6
SCHEMBL28983040 0.77 SIGMAR1 (0.44) SIGMAR1EBPCHRM3CHRM2GAA
SCHEMBL1308790 0.77 SIGMAR1 (0.56) SIGMAR1EBPCHRM3CHRM2GAA
SCHEMBL31314899 0.76 CHRM2 (0.46) CHRM3CHRM2GAASCN5ASCN9A

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-115785000-A 2- (phenoxy or phenylthio) pyrimidine derivatives as herbicides, compositions thereof and methods of controlling undesirable vegetation therewith FMC公司 2023-03-14 — — CN disclosed
CN-107635974-B 2- (phenoxy or phenylthio) pyrimidine derivatives as herbicides FMC公司 2022-12-20 — — CN disclosed
Send feedback