SCHEMBL6628636

SCHEMBL6628636

CC(N)CC(C)(C)c1ccc(Cl)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 1/20 0.54
GRIN3B O60391 1/20 0.54
GRIN1 Q05586 1/20 0.54
GRIN2A Q12879 1/20 0.54
GRIN2B Q13224 1/20 0.54
GRIN2C Q14957 1/20 0.54
GRIN3A Q8TCU5 1/20 0.54
SLC6A2 P23975 2/20 0.48
SLC6A3 Q01959 2/20 0.48
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
ADRB2 P07550 1/20 0.43
HTR2A P28223 1/20 0.39
SLC6A4 P31645 1/20 0.39
HRH1 P35367 1/20 0.39
HTR2B P41595 1/20 0.39
CHRNA4 P43681 1/20 0.39
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38

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
SCHEMBL18016866 0.83 GRIN2D (0.49) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL20926041 0.80 SHBG (0.53) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL10831632 0.79 TAAR1 (0.56) SLC6A2SLC6A3HTR2ASLC6A4HTR2B
SCHEMBL11003151 0.78 GRIN2D (0.53) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL21933684 0.76 PDE2A (0.37) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL3749082 0.74 TAAR1 (0.60) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
Hydrochloric Acid SCHEMBL3750475 0.72 TAAR1 (0.58) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL10179398 0.72 MEN1 (0.48) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL10837089 0.72 MEN1 (0.52) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL4352232 0.72 MEN1 (0.52) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0098953-B1 SUBSTITUTED MALEIC-ACID IMIDES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS PESTICIDES BAYER AG (DE) 1986-08-13 EP claimed
EP-0758652-B1 Substituted tetrahydro-5-nitro-pyrimidines and their use as pesticides BAYER CROPSCIENCE AG (DE) 2004-10-20 EP disclosed
US-5677307-A PESTICIDES BAYER AKTIENGESELLSCHAFT (DE) 1997-10-14 US disclosed
EP-0758652-A1 Substituted tetrahydro-5-nitro-pyrimidines and their use as pesticides BAYER AG (DE) 1997-02-19 EP disclosed
US-5591761-A Thiophenyl-, furyl-and pyrrolyl-sulfonamides and derivatives thereof that modulate the activity of endothelin TEXAS BIOTECHNOLOGY CORPORATION (US) 1997-01-07 US disclosed