SCHEMBL8990798

SCHEMBL8990798

CCNC(=O)NCc1ccccc1-c1ccc(CN2Cc3ccc(OC)cc3C[C@@H](NC(=O)CC(C)(C)NC[C@@H](C)O)C2=O)cc1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 3/20 0.44
DRD2 P14416 7/20 0.34
DRD4 P21917 7/20 0.34
DRD3 P35462 7/20 0.34
MLNR O43193 1/20 0.33
KCNA5 P22460 1/20 0.33
KCNH2 Q12809 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
HTR1A P08908 1/20 0.32
ADRA2A P08913 1/20 0.32
DRD1 P21728 1/20 0.32
DRD5 P21918 1/20 0.32
HTR2A P28223 1/20 0.32
ADRA1A P35348 1/20 0.32
TACR1 P25103 1/20 0.32
XIAP P98170 1/20 0.32
HTR7 P34969 1/20 0.32

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
SCHEMBL8990741 0.95 GHSR (0.45) GHSRDRD2DRD4DRD3MLNR
SCHEMBL8990932 0.94 GHSR (0.43) GHSRDRD2DRD4DRD3KCNA5
SCHEMBL8990925 0.92 GHSR (0.49) GHSRTACR1
SCHEMBL8991008 0.91 GHSR (0.44) GHSRDRD2DRD4DRD3TACR1
SCHEMBL8990871 0.91 MTNR1A (0.34) GHSRMLNRKCNA5KCNH2MEN1
SCHEMBL8990713 0.90 GHSR (0.44) GHSRTACR1
SCHEMBL8990834 0.90 GHSR (0.44) GHSRDRD2DRD4DRD3MLNR
SCHEMBL8990799 0.89 GHSR (0.50) GHSRDRD2DRD4DRD3KCNA5
SCHEMBL8990712 0.89 GHSR (0.43) GHSRDRD2DRD4DRD3MLNR
SCHEMBL8991112 0.87 GHSR (0.37) GHSRMLNRKCNA5KCNH2MEN1

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-5545735-A ANIMAL GROWTH REGULATORS MERCK & CO., INC. (US) 1996-08-13 US claimed
US-5545735-A ANIMAL GROWTH REGULATORS MERCK & CO., INC. (US) 1996-08-13 US disclosed
WO-1995009633-A1 BENZO-FUSED LACTAMS PROMOTE RELEASE OF GROWTH HORMONE MERCK & CO., INC. (US) 1995-04-13 WO disclosed