SCHEMBL8990712

SCHEMBL8990712

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 3/20 0.43
MCHR1 Q99705 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
TACR1 P25103 1/20 0.32
DRD2 P14416 4/20 0.32
DRD4 P21917 4/20 0.32
DRD3 P35462 4/20 0.32
MTNR1A P48039 1/20 0.32
MTNR1B P49286 1/20 0.32
XIAP P98170 1/20 0.32
HTR7 P34969 1/20 0.32
MLNR O43193 1/20 0.31
HTR1A P08908 1/20 0.31
ADRA2A P08913 1/20 0.31
DRD1 P21728 1/20 0.31
DRD5 P21918 1/20 0.31
HTR2A P28223 1/20 0.31

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
SCHEMBL8990932 0.94 GHSR (0.43) GHSRMCHR1KCNA5KCNH2MEN1
SCHEMBL8990834 0.94 GHSR (0.44) GHSRMCHR1KCNA5KCNH2MEN1
SCHEMBL8991112 0.93 GHSR (0.37) GHSRKCNA5KCNH2MEN1KMT2A
SCHEMBL8991025 0.92 GHSR (0.48) GHSRTACR1XIAP
SCHEMBL8990768 0.90 GHSR (0.43) GHSRTACR1
SCHEMBL8991080 0.90 FPR2 (0.35) GHSRKMT2AXIAP
SCHEMBL8990798 0.89 GHSR (0.44) GHSRKCNA5KCNH2MEN1KMT2A
SCHEMBL8990741 0.89 GHSR (0.45) GHSRMCHR1KCNA5KCNH2MEN1
SCHEMBL8990824 0.88 GHSR (0.49) GHSRMCHR1KCNA5KCNH2MEN1
SCHEMBL8990755 0.86 GHSR (0.40) GHSRTACR1

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