SCHEMBL8990873

SCHEMBL8990873

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 4/20 0.43
KCNA5 P22460 4/20 0.32
KCNH2 Q12809 1/20 0.32
CYP3A4 P08684 2/20 0.31
HSD11B1 P28845 2/20 0.31
ADRB2 P07550 1/20 0.31
ADRB1 P08588 1/20 0.31
ADRB3 P13945 1/20 0.31
ALOX5 P09917 1/20 0.31
EPHX2 P34913 1/20 0.31
DRD2 P14416 1/20 0.31
DRD4 P21917 1/20 0.31
DRD3 P35462 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
MLNR O43193 1/20 0.30
LIPG Q9Y5X9 1/20 0.30
OPRM1 P35372 1/20 0.30

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
SCHEMBL8991083 0.94 GHSR (0.43) GHSRKCNA5KCNH2ADRB2ADRB1
SCHEMBL8990948 0.92 GHSR (0.47) GHSRAGTR1
SCHEMBL8990904 0.91 GHSR (0.42) GHSR
SCHEMBL8990877 0.91 GHSR (0.42) GHSRKCNA5KCNH2DRD2DRD4
SCHEMBL8990719 0.90 SMN1; SMN2 (0.34) GHSRAGTR1
SCHEMBL8990767 0.90 GHSR (0.48) GHSRKCNA5KCNH2ALOX5EPHX2
SCHEMBL8990881 0.89 GHSR (0.44) GHSRKCNA5KCNH2DRD2DRD4
SCHEMBL8990957 0.89 GHSR (0.43) GHSRKCNA5KCNH2HSD11B1DRD2
SCHEMBL8990853 0.88 GHSR (0.37) GHSRKCNA5KCNH2ADRB2ADRB1
SCHEMBL8991016 0.87 GHSR (0.44) GHSRKCNA5KCNH2ALOX5EPHX2

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 1 patent. 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