SCHEMBL6601864

SCHEMBL6601864

CCOC(=O)Oc1noc([C@@H](Cc2ccc3ccccc3c2)N(C)C(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)C2CCNCC2)n1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 12/20 0.39
MC4R P32245 1/20 0.39
MC3R P41968 1/20 0.39
MC1R Q01726 1/20 0.39
MMP9 P14780 1/20 0.38
MMP8 P22894 1/20 0.38
CAPN1 P07384 2/20 0.38
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
SLC6A3 Q01959 1/20 0.38
KCNH2 Q12809 1/20 0.38
PLG P00747 1/20 0.37
PRSS1 P07477 1/20 0.37
PRSS2 P07478 1/20 0.37
PRSS3 P35030 1/20 0.37

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
SCHEMBL2576148 0.89 TACR1 (0.40) TACR1MC4RMC3RMC1RMMP9
SCHEMBL6600882 0.88 MMP9 (0.42) TACR1MC4RMC3RMC1RMMP9
SCHEMBL27477312 0.85 TACR1 (0.43) TACR1MMP9MMP8
SCHEMBL6601809 0.85 TACR1 (0.43) TACR1MMP9MMP8
SCHEMBL6601553 0.83 MMP9 (0.40) TACR1MC4RMC3RMC1RMMP9
SCHEMBL6606060 0.81 KLKB1 (0.39) TACR1MMP9MMP8
SCHEMBL6602374 0.80 MMP9 (0.41) TACR1MMP9MMP8SLC6A2SLC6A4
SCHEMBL7061546 0.79 MMP9 (0.40) TACR1MMP9MMP8
SCHEMBL6601359 0.77 MEN1 (0.42) TACR1CAPN1
SCHEMBL6601229 0.76 KMT2A (0.45) TACR1CAPN1

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