SCHEMBL8991053

SCHEMBL8991053

COc1ccc2c(c1)S[C@@H](NC(=O)CC(C)(C)NC[C@H](O)CO)C(=O)N(Cc1ccc(-c3ccccc3NC(=O)NCCO)cc1)C2

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 1/20 0.33
FPR1 P21462 1/20 0.33
FPR2 P25090 1/20 0.33
PDE10A Q9Y233 1/20 0.32
DRD2 P14416 4/20 0.32
DRD4 P21917 4/20 0.32
DRD3 P35462 4/20 0.32
KMT2A Q03164 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
SDCBP O00560 1/20 0.31
SDC2 P34741 1/20 0.31
MAPT P10636 2/20 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
ABL1 P00519 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
SCHEMBL8991050 0.94 GHSR (0.34) GHSRFPR1FPR2PDE10ADRD2
SCHEMBL8990826 0.94 FPR1 (0.34) GHSRFPR1FPR2KMT2ANPSR1
SCHEMBL8990981 0.92 GHSR (0.34) GHSRFPR1FPR2DRD2DRD4
SCHEMBL8990726 0.91 GHSR (0.37) GHSRDRD2DRD4DRD3
SCHEMBL8991081 0.90 GHSR (0.33) GHSR
SCHEMBL8991006 0.90 GHSR (0.37) GHSRFPR1FPR2PDE10ADRD2
SCHEMBL8990943 0.88 FPR1 (0.34) GHSRFPR1FPR2KMT2ANPSR1
SCHEMBL8990868 0.88 KMT2A (0.34) FPR1FPR2KMT2ANPSR1MAPT
SCHEMBL8991009 0.86 GHSR (0.42) GHSRDRD2DRD4DRD3KMT2A
SCHEMBL8990964 0.86 GHSR (0.34) GHSRFPR1FPR2DRD2DRD4

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