SCHEMBL6943731

SCHEMBL6943731

[NH]CCCN1CCCCCC1=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.46
HRH3 Q9Y5N1 1/20 0.42
KMT2A Q03164 4/20 0.42
CYP1A2 P05177 1/20 0.41
CHRM2 P08172 1/20 0.41
CHRM4 P08173 1/20 0.41
CHRM5 P08912 1/20 0.41
CYP2D6 P10635 1/20 0.41
CHRM1 P11229 1/20 0.41
CYP2C9 P11712 1/20 0.41
CHRM3 P20309 1/20 0.41
CYP2C19 P33261 1/20 0.41
MEN1 O00255 2/20 0.40
PKM P14618 1/20 0.40
PIK3CD O00329 1/20 0.40
RAB9A P51151 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
ACHE P22303 1/20 0.39
GAA P10253 1/20 0.39
TSHR P16473 1/20 0.39

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
SCHEMBL1447142 0.98 L3MBTL1 (0.43) L3MBTL1HRH3KMT2ACYP1A2CHRM2
SCHEMBL1366353 0.92 PIK3CD (0.47) KMT2ACYP1A2CHRM2CHRM4CHRM5
SCHEMBL4401513 0.86 ADRA1B (0.46) KMT2ACYP1A2CHRM2CHRM4CHRM5
SCHEMBL1446471 0.86 L3MBTL1 (0.46) L3MBTL1HRH3KMT2ACYP1A2CHRM2
SCHEMBL4611720 0.81 L3MBTL1 (0.46) L3MBTL1HRH3KMT2ACYP1A2CHRM2
SCHEMBL10427076 0.81 L3MBTL1 (0.46) L3MBTL1HRH3KMT2ACYP1A2CHRM2
SCHEMBL9156890 0.81 L3MBTL1 (0.46) L3MBTL1HRH3KMT2ACYP1A2CHRM2
SCHEMBL8538164 0.81 KMT2A (0.46) L3MBTL1HRH3KMT2ACYP1A2CHRM2
SCHEMBL10481709 0.81 L3MBTL1 (0.46) L3MBTL1HRH3KMT2ACYP1A2CHRM2
SCHEMBL3512713 0.81 L3MBTL1 (0.46) L3MBTL1HRH3KMT2ACYP1A2CHRM2

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-0998451-B1 SUBSTITUTED 3,3-DIAMINO-2-PROPENENITRILES, THEIR PREPARATION AND USE NOVO NORDISK AS (DK) 2003-04-16 EP claimed