SCHEMBL8991006

SCHEMBL8991006

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 2/20 0.37
AGTR1 P30556 1/20 0.36
DRD2 P14416 5/20 0.36
DRD4 P21917 5/20 0.36
DRD3 P35462 5/20 0.36
FPR1 P21462 1/20 0.36
FPR2 P25090 1/20 0.36
PDE10A Q9Y233 1/20 0.35
HTR1A P08908 2/20 0.34
ADRA2A P08913 2/20 0.34
DRD1 P21728 2/20 0.34
DRD5 P21918 2/20 0.34
HTR2A P28223 2/20 0.34
ADRA1A P35348 2/20 0.34
ABL1 P00519 1/20 0.34
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 2/20 0.34
SIGMAR1 Q99720 1/20 0.34
LMNA P02545 1/20 0.34

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
SCHEMBL8990947 0.93 GHSR (0.38) GHSRAGTR1FPR1FPR2KMT2A
SCHEMBL8990909 0.91 GHSR (0.38) GHSRAGTR1DRD2DRD4DRD3
SCHEMBL8991050 0.91 GHSR (0.34) GHSRDRD2DRD4DRD3FPR1
SCHEMBL8990880 0.90 GHSR (0.42) GHSRAGTR1DRD2DRD4DRD3
SCHEMBL8991053 0.90 GHSR (0.33) GHSRDRD2DRD4DRD3FPR1
SCHEMBL8990845 0.89 GHSR (0.37) GHSRAGTR1DRD2DRD4DRD3
SCHEMBL8990996 0.86 KMT2A (0.38) GHSRAGTR1KMT2AMEN1ALDH1A1
SCHEMBL8991065 0.84 GHSR (0.39) GHSRAGTR1KMT2AMEN1ALDH1A1
SCHEMBL8990943 0.84 FPR1 (0.34) GHSRFPR1FPR2KMT2AALDH1A1
SCHEMBL8990826 0.83 FPR1 (0.34) GHSRFPR1FPR2KMT2AALDH1A1

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
WO-1995009633-A1 BENZO-FUSED LACTAMS PROMOTE RELEASE OF GROWTH HORMONE MERCK & CO., INC. (US) 1995-04-13 WO disclosed