SCHEMBL8976276

SCHEMBL8976276

C=CC[N]C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
KMT2A Q03164 1/20 0.33
HSD11B1 P28845 3/20 0.31
GRIN2D O15399 1/20 0.31
GRIN3B O60391 1/20 0.31
GRIN1 Q05586 1/20 0.31
GRIN2A Q12879 1/20 0.31
GRIN2B Q13224 1/20 0.31
GRIN2C Q14957 1/20 0.31
GRIN3A Q8TCU5 1/20 0.31
SIGMAR1 Q99720 2/20 0.31

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
SCHEMBL5598597 0.69 SIGMAR1 (0.38) ALDH1A1HSD11B1GRIN2DGRIN3BGRIN1
SCHEMBL11164189 0.65 HSD11B1 (0.39) MEN1ALDH1A1KMT2AHSD11B1GRIN2D
Hydrochloric Acid SCHEMBL7107185 0.65 ALDH1A1 (0.35) MEN1ALDH1A1KMT2ASIGMAR1
SCHEMBL12439809 0.64 SIGMAR1 (0.38) MEN1ALDH1A1KMT2AHSD11B1GRIN2D
SCHEMBL821936 0.64 GRIN2D (0.46) MEN1ALDH1A1KMT2AGRIN2DGRIN3B
SCHEMBL2915914 0.63 GRIN2D (0.42) MEN1ALDH1A1KMT2AGRIN2DGRIN3B
SCHEMBL31254406 0.63 SIGMAR1 (0.42) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL985712 0.62 ABL1 (0.39) MEN1ALDH1A1KMT2AGRIN2DGRIN3B
SCHEMBL985709 0.62 ABL1 (0.39) MEN1ALDH1A1KMT2AGRIN2DGRIN3B
SCHEMBL985710 0.62 ABL1 (0.39) MEN1ALDH1A1KMT2AGRIN2DGRIN3B

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0561863-B1 AMIDIC DERIVATIVES OF GLUTAMIC, ASPARTIC AND 2-AMINO ADIPIC ACIDS WITH ANTIGASTRIN ACTIVITY ROTTA RESEARCH LAB (IT) 1994-11-02 EP claimed
EP-0561863-A1 AMIDIC DERIVATIVES OF GLUTAMIC, ASPARTIC AND 2-AMINO ADIPIC ACIDS WITH ANTIGASTRIN ACTIVITY. ROTTA RESEARCH LAB (IT) 1993-09-29 EP claimed
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 claimed
JP-1279893-A None JP disclosed
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-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
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
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
JP-H01279893-A CEPHEM COMPOUND FUJISAWA PHARMACEUT CO LTD 1989-11-10 JP disclosed