SCHEMBL6600571

SCHEMBL6600571

Cc1noc(C(Cc2ccc3ccccc3c2)N(C)C(=O)C(Cc2ccc3ccccc3c2)N(C)C(=O)OC2CCNCC2)n1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 1/20 0.39
ITGA2B P08514 1/20 0.39
SLC6A2 P23975 12/20 0.38
SLC6A4 P31645 12/20 0.38
SLC6A3 Q01959 11/20 0.38
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
HTR7 P34969 1/20 0.38
HTR2B P41595 1/20 0.38
HTR3A P46098 1/20 0.38
HTR4 Q13639 1/20 0.38
KCNH2 Q12809 5/20 0.37
GHSR Q92847 2/20 0.34
TACR1 P25103 1/20 0.34

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
SCHEMBL6599863 0.89 SLC6A2 (0.40) SLC6A2SLC6A4SLC6A3HTR2AHTR2C
SCHEMBL6602374 0.86 MMP9 (0.41) SLC6A2SLC6A4SLC6A3HTR2AHTR2C
SCHEMBL6600776 0.84 GHSR (0.42) GHSRTACR1
SCHEMBL6600092 0.83 GHSR (0.39) GHSR
SCHEMBL6600882 0.81 MMP9 (0.42) TACR1
SCHEMBL6317958 0.77 MC4R (0.43) HTR2AHTR2CHTR2BTACR1
SCHEMBL6613846 0.77 MC4R (0.43) HTR2AHTR2CHTR2BTACR1
SCHEMBL6600960 0.76 USP30 (0.41) TACR1
SCHEMBL6602359 0.76 TACR1 (0.41) SLC6A2SLC6A4SLC6A3HTR2AHTR2C
SCHEMBL6602292 0.76 SLC6A4 (0.41) SLC6A2SLC6A4SLC6A3KCNH2TACR1

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-0805816-B1 COMPOUNDS WITH GROWTH HORMONE RELEASING PROPERTIES NOVO NORDISK AS (DK) 2004-07-28 EP claimed