SCHEMBL9795489

SCHEMBL9795489

CCN(CC)CCNC(=O)CCCOC(=O)C(=O)OCCCC(=O)NCCN(CC)CC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 2/20 0.45
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
GAA P10253 1/20 0.43
CYP3A4 P08684 1/20 0.43
TSHR P16473 2/20 0.42
HDAC3 O15379 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC10 Q969S8 1/20 0.40
HDAC11 Q96DB2 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
HDAC9 Q9UKV0 1/20 0.40
HDAC5 Q9UQL6 1/20 0.40
FAAH O00519 1/20 0.40
GLS O94925 1/20 0.39
L3MBTL1 Q9Y468 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
SCHEMBL10900410 0.81 DNM1 (0.61) DNM1CYP1A2CYP2D6GAACYP3A4
SCHEMBL8398220 0.80 DNM1 (0.69) DNM1GAAHDAC3HDAC4HDAC1
SCHEMBL8398925 0.78 DNM1 (0.72) DNM1HDAC3HDAC4HDAC1HDAC7
SCHEMBL3005968 0.78 DNM1 (0.72) DNM1HDAC3HDAC4HDAC1HDAC7
SCHEMBL10964167 0.78 DNM1 (0.72) DNM1HDAC3HDAC4HDAC1HDAC7
SCHEMBL6729860 0.78 DNM1 (0.72) DNM1HDAC3HDAC4HDAC1HDAC7
SCHEMBL74996 0.78 DNM1 (0.72) DNM1HDAC3HDAC4HDAC1HDAC7
SCHEMBL3411287 0.78 DNM1 (0.72) DNM1HDAC3HDAC4HDAC1HDAC7
SCHEMBL74483 0.78 DNM1 (0.72) DNM1HDAC3HDAC4HDAC1HDAC7
SCHEMBL76373 0.78 DNM1 (0.72) DNM1HDAC3HDAC4HDAC1HDAC7

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-5037849-A For treatment of heart and circulatory diseases BOEHRINGER MANNHEIM GMBH (DE) 1991-08-06 US disclosed