SCHEMBL8990824

SCHEMBL8990824

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 4/20 0.49
AGTR1 P30556 1/20 0.40
MCHR1 Q99705 1/20 0.37
HTR7 P34969 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
KCNA5 P22460 1/20 0.35
KCNH2 Q12809 1/20 0.35
SCN9A Q15858 2/20 0.35
TACR1 P25103 1/20 0.35
DRD2 P14416 3/20 0.35
DRD4 P21917 3/20 0.35
DRD3 P35462 3/20 0.35
PLA2G2A P14555 1/20 0.34
HTR1A P08908 1/20 0.34
ADRA2A P08913 1/20 0.34
DRD1 P21728 1/20 0.34
DRD5 P21918 1/20 0.34
HTR2A P28223 1/20 0.34
ADRA1A P35348 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
SCHEMBL8990799 0.94 GHSR (0.50) GHSRAGTR1MCHR1HTR7MEN1
SCHEMBL8990838 0.93 GHSR (0.51) GHSRAGTR1MCHR1HTR7MEN1
SCHEMBL8990704 0.92 GHSR (0.58) GHSRMCHR1HTR7MEN1KMT2A
SCHEMBL8990729 0.91 GHSR (0.57) GHSRAGTR1MCHR1TACR1
SCHEMBL8991042 0.89 GHSR (0.49) GHSRAGTR1MCHR1TACR1
SCHEMBL8990712 0.88 GHSR (0.43) GHSRMCHR1HTR7MEN1KMT2A
SCHEMBL8990827 0.85 GHSR (0.59) GHSRMCHR1MEN1KMT2AKCNA5
SCHEMBL8991136 0.85 GHSR (0.46) GHSRAGTR1MCHR1TACR1
SCHEMBL8991117 0.85 AGTR1 (0.41) GHSRAGTR1MEN1KMT2ASCN9A
SCHEMBL8991114 0.85 AGTR1 (0.41) GHSRAGTR1MEN1KMT2ASCN9A

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