SCHEMBL11560769

SCHEMBL11560769

CCCCN(C(=N)N)C(=O)N(C)c1c(Cl)cccc1CC

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 2/20 0.38
▸ GRIN2D O15399 2/20 0.38
▸ GRIN3B O60391 2/20 0.38
▸ GRIN1 Q05586 2/20 0.38
▸ GRIN2A Q12879 2/20 0.38
▸ GRIN2B Q13224 2/20 0.38
▸ GRIN2C Q14957 2/20 0.38
▸ GRIN3A Q8TCU5 2/20 0.38
▸ NR1I2 O75469 1/20 0.38
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ HTT P42858 2/20 0.35
▸ LMNA P02545 2/20 0.35
▸ HPGD P15428 3/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ ERBB2 P04626 1/20 0.34
▸ HTR3E A5X5Y0 1/20 0.33
▸ HTR3B O95264 1/20 0.33
▸ HTR3A P46098 1/20 0.33

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
SCHEMBL11557841 0.96 NR1I2 (0.37) EGFRGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL11556536 0.93 NR1I2 (0.39) EGFRGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL11557099 0.91 GRIN2D (0.42) EGFRGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL11561110 0.88 ESR1 (0.40) EGFRGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL11562610 0.87 HTR3E (0.36) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL11564840 0.87 NR1I2 (0.39) EGFRGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL11557240 0.87 NR1I2 (0.39) EGFRGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL11560912 0.86 GRIN2D (0.39) EGFRGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL11561213 0.86 TP53 (0.39) NR1I2MEN1KMT2ATDP1LMNA
SCHEMBL11557592 0.84 ESR1 (0.40) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B

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
US-4147804-A ANTIARRHYTHMIA AGENTS WILLIAM H. RORER, INC. (US) 1979-04-03 — — US disclosed
Send feedback