SCHEMBL8990941

SCHEMBL8990941

CC(C)(N)C(=O)N[C@@H]1Sc2ccccc2CN(Cc2ccc(-c3ccccc3CNC(=O)NCCO)cc2)C1=O

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 4/20 0.62
PTGER1 P34995 3/20 0.35
DRD2 P14416 5/20 0.33
DRD4 P21917 5/20 0.33
DRD3 P35462 5/20 0.33
AGTR1 P30556 1/20 0.33
HTR1A P08908 1/20 0.33
ADRA2A P08913 1/20 0.33
DRD1 P21728 1/20 0.33
DRD5 P21918 1/20 0.33
HTR2A P28223 1/20 0.33
ADRA1A P35348 1/20 0.33
LIPG Q9Y5X9 1/20 0.32
PTGER3 P43115 2/20 0.32
THRB P10828 1/20 0.32
MCHR1 Q99705 1/20 0.32
GRM2 Q14416 1/20 0.31
HDAC1 Q13547 2/20 0.31
HDAC7 Q8WUI4 1/20 0.31

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
SCHEMBL8990983 0.93 GHSR (0.62) GHSRPTGER1AGTR1LIPGPTGER3
SCHEMBL8990951 0.92 GHSR (0.61) GHSRPTGER1AGTR1LIPGPTGER3
SCHEMBL8990681 0.92 GHSR (0.55) GHSRPTGER1DRD2DRD4DRD3
SCHEMBL8991013 0.91 GHSR (0.56) GHSRDRD2DRD4DRD3HTR1A
SCHEMBL8990979 0.91 GHSR (0.51) GHSRPTGER1AGTR1LIPGTHRB
SCHEMBL8990929 0.90 GHSR (0.55) GHSRDRD2DRD4DRD3HTR1A
SCHEMBL8990886 0.89 GHSR (0.50) GHSRAGTR1LIPGTHRBMCHR1
SCHEMBL8990915 0.88 GHSR (0.48) GHSRPTGER1DRD2DRD4DRD3
SCHEMBL8990776 0.88 GHSR (0.47) GHSRPTGER1AGTR1PTGER3GRM2
SCHEMBL8990939 0.86 GHSR (0.68) GHSRPTGER1DRD2DRD4DRD3

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