SCHEMBL8975677

SCHEMBL8975677

[CH2]CC12CC3CC(CC(C3)C1N)C2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 5/20 0.34
GRIN3B O60391 5/20 0.34
GRIN1 Q05586 5/20 0.34
GRIN2A Q12879 5/20 0.34
GRIN2B Q13224 5/20 0.34
GRIN2C Q14957 5/20 0.34
GRIN3A Q8TCU5 5/20 0.34
LMNA P02545 2/20 0.33
SLC22A2 O15244 1/20 0.33
SLC22A1 O15245 1/20 0.33
TSHR P16473 1/20 0.33
NFKB1 P19838 1/20 0.33
STAT6 P42226 1/20 0.33
SLC47A1 Q96FL8 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
POLB P06746 1/20 0.32
THRB P10828 1/20 0.32
BLM P54132 1/20 0.32
PMP22 Q01453 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL19862489 0.78 GRIN2D (0.35) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL10706923 0.78 GRIN2D (0.31) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL28144676 0.72 ALDH1A1 (0.39) LMNATSHRTHRB
SCHEMBL3816807 0.70 HSD11B1 (0.40) TSHRPOLBTHRB
SCHEMBL870113 0.67 GRIN2D (0.46) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL13585395 0.66 KDM1A (0.43) TSHRSIGMAR1
SCHEMBL25338011 0.65 GRIN2D (0.38) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
Hydrochloric Acid SCHEMBL11127087 0.65 LMNA (0.48) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL1015951 0.65 GRIN2D (0.38) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL3392844 0.65 SLC22A2 (0.41) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5500430-A Amidic derivatives of glutamic, aspartic and 2-amino adipic acids, a process for preparing same, and anti-gastrin composition containing the derivatives ROTTA RESEARCH LABORATORIUM S.P.A. (IT) 1996-03-19 US disclosed
EP-0561863-B1 AMIDIC DERIVATIVES OF GLUTAMIC, ASPARTIC AND 2-AMINO ADIPIC ACIDS WITH ANTIGASTRIN ACTIVITY ROTTA RESEARCH LAB (IT) 1994-11-02 EP disclosed
EP-0561863-A1 AMIDIC DERIVATIVES OF GLUTAMIC, ASPARTIC AND 2-AMINO ADIPIC ACIDS WITH ANTIGASTRIN ACTIVITY. ROTTA RESEARCH LAB (IT) 1993-09-29 EP disclosed
WO-1992010479-A1 AMIDIC DERIVATIVES OF GLUTAMIC, ASPARTIC AND 2-AMINO ADIPIC ACIDS WITH ANTIGASTRIN ACTIVITY ROTTA RESEARCH LABORATORIUM S.P.A. (IT) 1992-06-25 WO disclosed