SCHEMBL8990877

SCHEMBL8990877

CNC(=O)NCc1ccccc1-c1ccc(CN2Cc3ccc(OC)cc3S[C@@H](NC(=O)CC(C)(C)NC[C@@H](C)O)C2=O)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 3/20 0.42
KCNA5 P22460 2/20 0.34
KCNH2 Q12809 1/20 0.34
MTNR1A P48039 1/20 0.33
MTNR1B P49286 1/20 0.33
MLNR O43193 1/20 0.32
MAPK1 P28482 1/20 0.32
XIAP P98170 1/20 0.31
KCNK3 O14649 1/20 0.31
KCNK5 O95279 1/20 0.31
KCNK17 Q96T54 1/20 0.31
KCNK9 Q9NPC2 1/20 0.31
MCHR1 Q99705 1/20 0.31
PLA2G2A P14555 2/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
SDCBP O00560 1/20 0.31
SDC2 P34741 1/20 0.31
DRD2 P14416 2/20 0.31
DRD4 P21917 2/20 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
SCHEMBL8991060 0.94 GHSR (0.44) GHSRKCNA5KCNH2MLNRMAPK1
SCHEMBL8990873 0.91 GHSR (0.43) GHSRKCNA5KCNH2MLNRKCNK3
SCHEMBL8990948 0.91 GHSR (0.47) GHSRXIAP
SCHEMBL8990904 0.90 GHSR (0.42) GHSR
SCHEMBL8990943 0.90 FPR1 (0.34) GHSRMAPK1XIAPMCHR1KMT2A
SCHEMBL8991009 0.89 GHSR (0.42) GHSRKCNA5KCNH2MLNRPLA2G2A
SCHEMBL8995723 0.88 GHSR (0.37) GHSRKCNA5KCNH2MEN1KMT2A
SCHEMBL8991050 0.87 GHSR (0.34) GHSRMAPK1XIAPMCHR1MEN1
SCHEMBL8990821 0.86 GHSR (0.54) GHSRKCNA5KCNH2MTNR1AMTNR1B
SCHEMBL8990801 0.86 GHSR (0.39) GHSRKCNA5XIAPMEN1KMT2A

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