SCHEMBL9542828

SCHEMBL9542828

CCCCCCCCCCCCCCCC(=O)C(N)CCN

nearest known ligand 0.62

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RRM1 P23921 1/20 0.62
DPP7 Q9UHL4 3/20 0.59
CES2 O00748 2/20 0.52
GNAI3 P08754 1/20 0.50
GNAO1 P09471 1/20 0.50
GNAI1 P63096 1/20 0.50
DPP8 Q6V1X1 2/20 0.49
DPP9 Q86TI2 2/20 0.49
CHRM2 P08172 1/20 0.46
CHRM4 P08173 1/20 0.46
CHRM1 P11229 1/20 0.46
CES1 P23141 1/20 0.45

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
SCHEMBL1074365 1.00 RRM1 (0.62) RRM1DPP7CES2GNAI3GNAO1
SCHEMBL28617248 1.00 RRM1 (0.62) RRM1DPP7CES2GNAI3GNAO1
SCHEMBL6320398 1.00 RRM1 (0.62) RRM1DPP7CES2GNAI3GNAO1
SCHEMBL25469804 0.91 GNAI3 (0.57) RRM1DPP7CES2GNAI3GNAO1
SCHEMBL165368 0.90 FAAH (0.57) RRM1CHRM1
SCHEMBL27468902 0.90 FAAH (0.57) RRM1CHRM1
SCHEMBL6271110 0.89 GNAI3 (0.64) RRM1DPP7CES2GNAI3GNAO1
SCHEMBL32676289 0.89 GNAI3 (0.64) RRM1DPP7CES2GNAI3GNAO1
SCHEMBL904746 0.88 CES2 (0.55) DPP7CES2GNAI3GNAO1GNAI1
SCHEMBL5319167 0.88 CES2 (0.55) RRM1DPP7CES2CHRM2CHRM4

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
WO-1993011758-A1 N-AMINOALKYL AMIDE INHIBITORS OF PROTEIN KINASE C SPHINX PHARMACEUTICALS CORPORATION (US) 1993-06-24 WO disclosed