SCHEMBL8991112

SCHEMBL8991112

COc1ccc2c(c1)C[C@@H](NC(=O)CC(C)(C)NC[C@H](O)CO)C(=O)N(Cc1ccc(-c3ccccc3CNC(N)=O)cc1)C2

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 4/20 0.37
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 0.33
SCN9A Q15858 1/20 0.33
AGTR1 P30556 1/20 0.32
HTR7 P34969 1/20 0.32
OPRM1 P35372 2/20 0.32
OPRD1 P41143 1/20 0.32
MLNR O43193 1/20 0.32
PLA2G2A P14555 1/20 0.32

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
SCHEMBL8990712 0.93 GHSR (0.43) GHSRKCNA5KCNH2MEN1KMT2A
SCHEMBL8990834 0.93 GHSR (0.44) GHSRKCNA5KCNH2MEN1KMT2A
SCHEMBL8990932 0.93 GHSR (0.43) GHSRKCNA5KCNH2MEN1KMT2A
SCHEMBL8990771 0.92 GHSR (0.42) GHSRTACR1AGTR1OPRM1OPRD1
SCHEMBL8991030 0.91 GHSR (0.38) GHSRTACR1AGTR1OPRM1OPRD1
SCHEMBL8990755 0.87 GHSR (0.40) GHSRTACR1AGTR1OPRM1OPRD1
SCHEMBL8990741 0.87 GHSR (0.45) GHSRKCNA5KCNH2MEN1KMT2A
SCHEMBL8990798 0.87 GHSR (0.44) GHSRKCNA5KCNH2MEN1KMT2A
SCHEMBL8990871 0.86 MTNR1A (0.34) GHSRKCNA5KCNH2MEN1KMT2A
SCHEMBL8991080 0.85 FPR2 (0.35) GHSRKMT2AAGTR1

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