SCHEMBL9107587

SCHEMBL9107587

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

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 4/20 0.59
TACR1 P25103 2/20 0.34
PTGER1 P34995 2/20 0.32
DRD2 P14416 5/20 0.32
DRD4 P21917 5/20 0.32
DRD3 P35462 5/20 0.32
OPRM1 P35372 3/20 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
AGTR1 P30556 1/20 0.31
THRB P10828 1/20 0.31
PTGER3 P43115 1/20 0.31
MCHR1 Q99705 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
SCHEMBL8990764 0.94 GHSR (0.59) GHSRTACR1PTGER1OPRM1OPRD1
SCHEMBL8990927 0.93 GHSR (0.58) GHSRTACR1PTGER1OPRM1OPRD1
SCHEMBL8990944 0.93 GHSR (0.51) GHSRTACR1PTGER1DRD2DRD4
SCHEMBL8991051 0.92 GHSR (0.49) GHSRTACR1OPRM1OPRD1AGTR1
SCHEMBL8990939 0.91 GHSR (0.68) GHSRTACR1PTGER1DRD2DRD4
SCHEMBL8990958 0.90 GHSR (0.61) GHSRTACR1PTGER1DRD2DRD4
SCHEMBL8990827 0.89 GHSR (0.59) GHSRTACR1PTGER1DRD2DRD4
SCHEMBL8991015 0.86 GHSR (0.45) GHSRTACR1DRD2DRD4DRD3
SCHEMBL8990906 0.86 GHSR (0.44) GHSRTACR1OPRM1OPRD1AGTR1
SCHEMBL8990945 0.84 GHSR (0.58) GHSRTACR1DRD2DRD4DRD3

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 1 patent. claimed = in the patent's claims; disclosed = body only.

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