SCHEMBL8991009

SCHEMBL8991009

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 3/20 0.42
KCNA5 P22460 1/20 0.33
KCNH2 Q12809 1/20 0.33
DRD2 P14416 4/20 0.31
DRD4 P21917 4/20 0.31
DRD3 P35462 4/20 0.31
PLA2G2A P14555 2/20 0.31
MLNR O43193 1/20 0.30
OPRM1 P35372 1/20 0.30
OPRD1 P41143 1/20 0.30
OPRK1 P41145 1/20 0.30
OPRL1 P41146 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
HTR1A P08908 1/20 0.30
ADRA2A P08913 1/20 0.30
DRD1 P21728 1/20 0.30
DRD5 P21918 1/20 0.30
HTR2A P28223 1/20 0.30
ADRA1A P35348 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
SCHEMBL8990957 0.92 GHSR (0.43) GHSRKCNA5KCNH2DRD2DRD4
SCHEMBL8990751 0.91 GHSR (0.47) GHSROPRM1OPRD1OPRK1OPRL1
SCHEMBL8991001 0.91 GHSR (0.42) GHSR
SCHEMBL8991060 0.90 GHSR (0.44) GHSRKCNA5KCNH2DRD2DRD4
SCHEMBL8990877 0.89 GHSR (0.42) GHSRKCNA5KCNH2DRD2DRD4
SCHEMBL8990932 0.88 GHSR (0.43) GHSRKCNA5KCNH2DRD2DRD4
SCHEMBL8990881 0.87 GHSR (0.44) GHSRKCNA5KCNH2DRD2DRD4
SCHEMBL8990759 0.86 GHSR (0.48) GHSRDRD2DRD4DRD3
SCHEMBL8991053 0.86 GHSR (0.33) GHSRDRD2DRD4DRD3KMT2A
SCHEMBL8990822 0.86 GHSR (0.55) GHSRKCNA5KCNH2DRD2DRD4

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