SCHEMBL7660423

SCHEMBL7660423

CN(C(=O)C1CCNCC1)[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(N)=S

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 7/20 0.42
SLC6A4 P31645 7/20 0.42
SLC6A3 Q01959 6/20 0.42
MMP9 P14780 1/20 0.42
MMP8 P22894 1/20 0.42
KCNH2 Q12809 3/20 0.41
TACR1 P25103 4/20 0.41
MME P08473 2/20 0.41
ACE P12821 2/20 0.41
CPA1 P15085 2/20 0.41
ACE2 Q9BYF1 2/20 0.41
FCER2 P06734 2/20 0.40
CAPN1 P07384 1/20 0.40
MC4R P32245 1/20 0.39
MC3R P41968 1/20 0.39
MC1R Q01726 1/20 0.39

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
SCHEMBL7658396 0.84 YAP1 (0.43) TACR1CAPN1
SCHEMBL14527764 0.83 NMUR2 (0.45) FCER2MC4R
SCHEMBL8523939 0.79 SLC6A2 (0.41) SLC6A2SLC6A4SLC6A3KCNH2TACR1
SCHEMBL7661897 0.79 CTSB (0.50) MMP9MMP8TACR1MMEACE
SCHEMBL14527562 0.76 MMP9 (0.46) SLC6A2SLC6A4SLC6A3MMP9MMP8
SCHEMBL27495084 0.75 MME (0.52) MMP9MMP8TACR1MMEACE
SCHEMBL7662555 0.75 MME (0.52) MMP9MMP8TACR1MMEACE
SCHEMBL10054043 0.74 CAPN1 (0.57) SLC6A2SLC6A4SLC6A3MMP9MMP8
SCHEMBL14527601 0.74 PLG (0.52) MMP9MMP8CAPN1MC4RMC3R
SCHEMBL14527547 0.72 CAPN1 (0.58) MMP9FCER2CAPN1MC4RMC3R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6350767-B1 GROWTH HORMONE RELEASE STIMULANT NOVO NORDISK A/S (DK) 2002-02-26 US disclosed
US-6013658-A ANIMAL GROWTH REGULATORS NOVO NORDISK A/S (DK) 2000-01-11 US disclosed
WO-1996022997-A1 COMPOUNDS WITH GROWTH HORMONE RELEASING PROPERTIES NOVO NORDISK A/S (DK) 1996-08-01 WO disclosed