SCHEMBL9242008

SCHEMBL9242008

N[C@@H](Cc1c[nH]cn1)C(=O)NC(=O)c1ccc2ccccc2c1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NLN Q9BYT8 1/20 0.41
METAP2 P50579 5/20 0.40
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
PIN1 Q13526 3/20 0.39
KDM4E B2RXH2 1/20 0.38
METAP1 P53582 3/20 0.38
DEGS1 O15121 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
NAMPT P43490 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C19 P33261 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
SCHEMBL8515469 0.91 PIN1 (0.39) NLNMETAP2PIN1METAP1
SCHEMBL6856397 0.86 NAMPT (0.42) NPC1RAB9ANAMPTCYP1A2
SCHEMBL8513563 0.83 CCKBR (0.39) METAP2PIN1
N-Histidyl-2-Aminonaphthalene (Betana) SCHEMBL29941314 0.82 MAPT (0.46) NLNNPC1RAB9AKDM4EMEN1
N-Histidyl-2-Aminonaphthalene (Betana) SCHEMBL4292342 0.82 MAPT (0.46) NLNNPC1RAB9AKDM4EMEN1
N-Histidyl-2-Aminonaphthalene (Betana) SCHEMBL4292344 0.82 MAPT (0.46) NLNNPC1RAB9AKDM4EMEN1
SCHEMBL18064448 0.81 PIN1 (0.46) PIN1
SCHEMBL16576436 0.81 PIN1 (0.46) PIN1
SCHEMBL23573037 0.80 NLN (0.64) NLNMETAP2METAP1
SCHEMBL21795244 0.80 NLN (0.64) NLNMETAP2METAP1

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-0633316-A1 Lys-aminopeptidase PepN from lactobacillus delbruckii ssp. Lactis, nucleic acids coding for it, and its use in fermentation processes EUROPEAN ECONOMIC COMMUNITY E.E.C. (LU) 1995-01-11 EP disclosed