SCHEMBL8990845

SCHEMBL8990845

CSc1ccc2c(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 18)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 4/20 0.37
AGTR1 P30556 1/20 0.36
HDAC1 Q13547 1/20 0.32
DRD2 P14416 2/20 0.32
DRD4 P21917 2/20 0.32
DRD3 P35462 2/20 0.32
KMT2A Q03164 1/20 0.31
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
ALDH1A1 P00352 1/20 0.30
MAPT P10636 1/20 0.30
PTGER1 P34995 1/20 0.30
SIGMAR1 Q99720 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
SCHEMBL8990793 0.93 GHSR (0.38) GHSRAGTR1HDAC1KMT2AMAPT
SCHEMBL8990909 0.91 GHSR (0.38) GHSRAGTR1HDAC1DRD2DRD4
SCHEMBL8990978 0.91 GHSR (0.34) GHSR
SCHEMBL8990880 0.90 GHSR (0.42) GHSRAGTR1HDAC1DRD2DRD4
SCHEMBL8991081 0.90 GHSR (0.33) GHSR
SCHEMBL8991006 0.89 GHSR (0.37) GHSRAGTR1HDAC1DRD2DRD4
SCHEMBL8991057 0.86 GHSR (0.40) GHSRAGTR1HDAC1KMT2ASIGMAR1
SCHEMBL8990788 0.85 GHSR (0.47) GHSRAGTR1SIGMAR1
SCHEMBL8990938 0.84 GHSR (0.48) GHSRAGTR1SIGMAR1
SCHEMBL8990875 0.84 GHSR (0.31) GHSRAGTR1

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 3 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
WO-1995009633-A1 BENZO-FUSED LACTAMS PROMOTE RELEASE OF GROWTH HORMONE MERCK & CO., INC. (US) 1995-04-13 WO disclosed