SCHEMBL9203767

SCHEMBL9203767

NCCCC(N)C(=O)NC(=O)Cc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 1/20 0.54
LTA4H P09960 1/20 0.49
GRIN1 Q05586 2/20 0.46
GRIN2A Q12879 2/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
CNR2 P34972 3/20 0.44
CHRNA1 P02708 4/20 0.44
CHRNG P07510 4/20 0.44
CHRNB1 P11230 4/20 0.44
CHRND Q07001 4/20 0.44
GRIA1 P42261 1/20 0.44
CNR1 P21554 1/20 0.43

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
SCHEMBL9203776 1.00 MMP2 (0.54) MMP2LTA4HGRIN1GRIN2AMEN1
SCHEMBL9203101 0.87 GRIA1 (0.46) MMP2LTA4HCHRNA1CHRNGCHRNB1
SCHEMBL9203087 0.87 GRIA1 (0.46) MMP2LTA4HCHRNA1CHRNGCHRNB1
SCHEMBL9276586 0.84 MC4R (0.48) MMP2MEN1KMT2AHDAC8HDAC6
SCHEMBL9276580 0.84 MC4R (0.48) MMP2MEN1KMT2AHDAC8HDAC6
SCHEMBL9277064 0.82 HTT (0.52) MMP2KMT2ACNR2
SCHEMBL9277060 0.82 HTT (0.52) MMP2KMT2ACNR2
SCHEMBL3956760 0.81 ALPI (0.58) MMP2LTA4HMEN1KMT2AHDAC8
SCHEMBL6253114 0.81 ALPI (0.58) MMP2LTA4HMEN1KMT2AHDAC8
SCHEMBL6864434 0.81 HPGD (0.46) MMP2GRIN1GRIN2ACNR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0680469-A1 AMINOACID DERIVATES, MEDICAMENTS CONTAINING THESE COMPOUNDS AND PROCESS FOR PREPARING THE SAME Dr. Karl Thomae GmbH (DE) 1995-11-08 EP disclosed
WO-1994017035-A1 AMINOACID DERIVATES, MEDICAMENTS CONTAINING THESE COMPOUNDS AND PROCESS FOR PREPARING THE SAME DR. KARL THOMAE GMBH (DE) 1994-08-04 WO disclosed