SCHEMBL8990799

SCHEMBL8990799

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 4/20 0.50
AGTR1 P30556 1/20 0.40
DRD2 P14416 6/20 0.36
DRD4 P21917 6/20 0.36
DRD3 P35462 6/20 0.36
MCHR1 Q99705 1/20 0.35
HTR7 P34969 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
KCNA5 P22460 1/20 0.35
KCNH2 Q12809 1/20 0.35
SCN9A Q15858 1/20 0.35
TACR1 P25103 1/20 0.35
HTR1A P08908 1/20 0.35
ADRA2A P08913 1/20 0.35
DRD1 P21728 1/20 0.35
DRD5 P21918 1/20 0.35
HTR2A P28223 1/20 0.35
ADRA1A P35348 1/20 0.35
PLA2G2A P14555 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
SCHEMBL8990838 0.94 GHSR (0.51) GHSRAGTR1DRD2DRD4DRD3
SCHEMBL8990824 0.94 GHSR (0.49) GHSRAGTR1DRD2DRD4DRD3
SCHEMBL8991111 0.91 GHSR (0.57) GHSRAGTR1MCHR1TACR1
SCHEMBL8991024 0.90 GHSR (0.51) GHSRAGTR1DRD2DRD4DRD3
SCHEMBL8990798 0.89 GHSR (0.44) GHSRDRD2DRD4DRD3HTR7
SCHEMBL8990932 0.89 GHSR (0.43) GHSRDRD2DRD4DRD3MCHR1
SCHEMBL8991117 0.88 AGTR1 (0.41) GHSRAGTR1MEN1KMT2ASCN9A
SCHEMBL8991114 0.88 AGTR1 (0.41) GHSRAGTR1MEN1KMT2ASCN9A
SCHEMBL8990827 0.86 GHSR (0.59) GHSRDRD2DRD4DRD3MCHR1
SCHEMBL8990704 0.86 GHSR (0.58) GHSRDRD2DRD4DRD3MCHR1

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
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