SCHEMBL9664181

SCHEMBL9664181

CCCCCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.64
HCRTR1 O43613 1/20 0.64
KMT2A Q03164 1/20 0.64
ECE1 P42892 2/20 0.60
MTNR1A P48039 2/20 0.59
KDM4E B2RXH2 1/20 0.57
ALDH1A1 P00352 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
CA12 O43570 1/20 0.56
CA1 P00915 1/20 0.56
CA9 Q16790 1/20 0.56
HPGDS O60760 2/20 0.56
CCKBR P32239 1/20 0.56
HDAC3 O15379 3/20 0.56
HDAC4 P56524 3/20 0.56
HDAC1 Q13547 3/20 0.56
HDAC7 Q8WUI4 3/20 0.56
HDAC2 Q92769 3/20 0.56
HDAC10 Q969S8 3/20 0.56
HDAC11 Q96DB2 3/20 0.56

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
SCHEMBL9664229 0.99 MEN1 (0.62) MEN1HCRTR1KMT2AECE1MTNR1A
SCHEMBL9664095 0.99 MEN1 (0.62) MEN1HCRTR1KMT2AECE1MTNR1A
SCHEMBL9664053 0.99 MEN1 (0.62) MEN1HCRTR1KMT2AECE1MTNR1A
SCHEMBL9664238 0.99 MEN1 (0.62) MEN1HCRTR1KMT2AECE1MTNR1A
SCHEMBL9664767 0.99 MEN1 (0.62) MEN1HCRTR1KMT2AECE1MTNR1A
SCHEMBL24122290 0.95 ECE1 (0.60) MEN1HCRTR1KMT2AECE1MTNR1A
SCHEMBL20314886 0.92 MEN1 (0.65) MEN1HCRTR1KMT2AMTNR1AKDM4E
SCHEMBL8221748 0.91 MEN1 (0.64) MEN1HCRTR1KMT2AMTNR1AKDM4E
SCHEMBL9666562 0.90 MEN1 (0.65) MEN1HCRTR1KMT2AMTNR1AKDM4E
SCHEMBL9666568 0.90 MEN1 (0.65) MEN1HCRTR1KMT2AMTNR1AKDM4E

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
EP-0473700-A1 AN ENZYME-CATALYZED PROCESS FOR PREPARING N-ACYL AMINO ACIDS AND N-ACYL AMINO ACID AMIDES NOVO NORDISK A/S (DK) 1992-03-11 EP claimed
WO-1990014429-A1 AN ENZYME-CATALYZED PROCESS FOR PREPARING N-ACYL AMINO ACIDS AND N-ACYL AMINO ACID AMIDES NOVO NORDISK A/S (DK) 1990-11-29 WO claimed
EP-0473700-A1 AN ENZYME-CATALYZED PROCESS FOR PREPARING N-ACYL AMINO ACIDS AND N-ACYL AMINO ACID AMIDES NOVO NORDISK A/S (DK) 1992-03-11 EP disclosed
WO-1990014429-A1 AN ENZYME-CATALYZED PROCESS FOR PREPARING N-ACYL AMINO ACIDS AND N-ACYL AMINO ACID AMIDES NOVO NORDISK A/S (DK) 1990-11-29 WO disclosed