SCHEMBL8990944

SCHEMBL8990944

CSc1ccc2c(c1)C[C@@H](NC(=O)CC(C)(C)N)C(=O)N(Cc1ccc(-c3ccccc3CNC(=O)NCCO)cc1)C2

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 4/20 0.51
AGTR1 P30556 1/20 0.39
TACR1 P25103 1/20 0.34
DRD2 P14416 5/20 0.33
DRD4 P21917 5/20 0.33
DRD3 P35462 5/20 0.33
OPRM1 P35372 2/20 0.32
OPRD1 P41143 1/20 0.32
HTR1A P08908 1/20 0.32
ADRA2A P08913 1/20 0.32
DRD1 P21728 1/20 0.32
DRD5 P21918 1/20 0.32
HTR2A P28223 1/20 0.32
ADRA1A P35348 1/20 0.32
PTGER1 P34995 1/20 0.31
MCHR1 Q99705 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
SCHEMBL9107587 0.93 GHSR (0.59) GHSRAGTR1TACR1DRD2DRD4
SCHEMBL8990785 0.92 GHSR (0.41) GHSRAGTR1TACR1OPRM1OPRD1
SCHEMBL8990743 0.91 GHSR (0.58) GHSRAGTR1TACR1DRD2DRD4
SCHEMBL8990829 0.91 GHSR (0.52) GHSRAGTR1TACR1DRD2DRD4
SCHEMBL8991015 0.90 GHSR (0.45) GHSRAGTR1TACR1DRD2DRD4
SCHEMBL8990949 0.90 GHSR (0.43) GHSRAGTR1TACR1OPRM1OPRD1
SCHEMBL8990838 0.89 GHSR (0.51) GHSRAGTR1TACR1DRD2DRD4
SCHEMBL8990906 0.89 GHSR (0.44) GHSRAGTR1TACR1OPRM1OPRD1
SCHEMBL8990764 0.86 GHSR (0.59) GHSRAGTR1TACR1OPRM1OPRD1
SCHEMBL8990927 0.86 GHSR (0.58) GHSRAGTR1TACR1OPRM1OPRD1

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