Sugi Predict

Sugi Predict / Compounds / Diethylamine

Diethylamine

Diethylamine

SCHEMBL16240132

CCNCC.Cn1nccc1-c1cc(Cl)ccc1OCc1ccc(C(=O)NS(C)(=O)=O)cc1

nearest known ligand 0.47

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

CCKAR

The experimentally established mechanism targets of Diethylamine. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ PTGER1 P34995 9/20 0.47
▸ SCN9A Q15858 2/20 0.47
▸ SCN5A Q14524 1/20 0.47
▸ HTR2A P28223 9/20 0.46
▸ HTR2C P28335 8/20 0.46

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
SCHEMBL366512 0.96 PTGER1 (0.51) PTGER1SCN9ASCN5AHTR2AHTR2C
SCHEMBL16319570 0.82 SCN9A (0.51) SCN9ASCN5AHTR2AHTR2C
Diethylamine SCHEMBL16239865 0.81 MRGPRX4 (0.58) SCN9ASCN5A
Diethylamine SCHEMBL16239843 0.80 CYP1A2 (0.46) SCN9ASCN5A
SCHEMBL16242182 0.76 SCN9A (0.58) SCN9AHTR2AHTR2C
SCHEMBL364759 0.76 MRGPRX4 (0.64) SCN9ASCN5A
SCHEMBL16319802 0.76 SCN9A (0.63) SCN9A
Diethylamine SCHEMBL16239880 0.75 MAOA (0.56) SCN9ASCN5A
SCHEMBL365276 0.75 BCL2L1 (0.47) SCN9ASCN5A
SCHEMBL16240302 0.74 MRGPRX4 (0.61) SCN9ASCN5A

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-2593428-B1 N-SULFONYLBENZAMIDES AS INHIBITORS OF VOLTAGE-GATED SODIUM CHANNELS PFIZER LTD (GB) 2014-11-19 — — EP disclosed