SCHEMBL30177494

SCHEMBL30177494

NC(N)=NCCC[C@H](N)C(=O)Nc1ccc2ccccc2c1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FURIN P09958 1/20 0.56
TERT O14746 3/20 0.55
LNPEP Q9UIQ6 3/20 0.53
MC4R P32245 3/20 0.52
MC3R P41968 3/20 0.52
MC1R Q01726 3/20 0.52
NPFFR1 Q9GZQ6 1/20 0.52
NPFFR2 Q9Y5X5 1/20 0.52
CXCR4 P61073 2/20 0.51
MC5R P33032 2/20 0.51
ERAP2 Q6P179 2/20 0.50
MMP2 P08253 1/20 0.50
MMP3 P08254 1/20 0.50
MMP9 P14780 1/20 0.50
MMP14 P50281 1/20 0.50
TACR1 P25103 1/20 0.49
IDE P14735 3/20 0.47

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
SCHEMBL29619770 0.91 IDE (0.54) FURINTERTMC4RMC3RMC1R
SCHEMBL25455582 0.85 MC4R (0.56) MC4RMC3RMC1RCXCR4MC5R
SCHEMBL8362464 0.83 LTA4H (0.56) TERT
SCHEMBL25453635 0.83 MC4R (0.54) FURINMC4RMC3RMC1RCXCR4
Pabetan SCHEMBL29359620 0.82 MC4R (0.56) FURINMC4RMC3RMC1RMC5R
Pabetan SCHEMBL23784701 0.82 MC4R (0.56) FURINMC4RMC3RMC1RMC5R
Pabetan SCHEMBL1738816 0.82 MC4R (0.56) FURINMC4RMC3RMC1RMC5R
SCHEMBL7618233 0.82 LTA4H (0.61) TERTMMP2MMP9
Pabetan SCHEMBL29646525 0.81 MC4R (0.55) FURINMC4RMC3RMC1RMC5R
SCHEMBL4607283 0.81 MEN1 (0.48)

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
CN-118340751-A Colistin sensitizer and application thereof in resisting escherichia coli 武汉大学 2024-07-16 CN disclosed
EP-4126064-A1 ANTIBODY MOLECULE-DRUG CONJUGATES AND USES THEREOF Visterra, Inc. (US) 2023-02-08 EP disclosed