SCHEMBL8990958

SCHEMBL8990958

CC(C)(N)C(=O)N[C@@H]1Cc2cc(F)ccc2CN(Cc2ccc(-c3ccccc3CNC(=O)NCCO)cc2)C1=O

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 3/20 0.61
DRD2 P14416 8/20 0.39
DRD4 P21917 8/20 0.39
DRD3 P35462 8/20 0.39
OPRM1 P35372 2/20 0.38
OPRK1 P41145 2/20 0.38
OPRL1 P41146 2/20 0.38
TACR1 P25103 1/20 0.36
FNTA P49354 3/20 0.36
FNTB P49356 3/20 0.36
KCNA5 P22460 1/20 0.34
KCNH2 Q12809 1/20 0.34
HTR1A P08908 1/20 0.34
ADRA2A P08913 1/20 0.34
DRD1 P21728 1/20 0.34
DRD5 P21918 1/20 0.34
HTR2A P28223 1/20 0.34
ADRA1A P35348 1/20 0.34
PTGER1 P34995 1/20 0.33

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
SCHEMBL8991044 0.94 GHSR (0.60) GHSRDRD2DRD4DRD3OPRM1
SCHEMBL8991034 0.93 GHSR (0.60) GHSRDRD2DRD4DRD3OPRM1
SCHEMBL8990829 0.92 GHSR (0.52) GHSRDRD2DRD4DRD3OPRM1
SCHEMBL8990939 0.92 GHSR (0.68) GHSRDRD2DRD4DRD3OPRM1
SCHEMBL8990827 0.90 GHSR (0.59) GHSRDRD2DRD4DRD3TACR1
SCHEMBL9107587 0.90 GHSR (0.59) GHSRDRD2DRD4DRD3OPRM1
SCHEMBL8991013 0.86 GHSR (0.56) GHSRDRD2DRD4DRD3OPRM1
SCHEMBL8990921 0.86 GHSR (0.46) GHSRDRD2DRD4DRD3OPRM1
SCHEMBL8991024 0.86 GHSR (0.51) GHSRDRD2DRD4DRD3OPRM1
SCHEMBL8990862 0.85 GHSR (0.45) GHSRDRD2DRD4DRD3OPRM1

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