SCHEMBL8990921

SCHEMBL8990921

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

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 4/20 0.46
DRD2 P14416 5/20 0.35
DRD4 P21917 5/20 0.35
DRD3 P35462 5/20 0.35
TACR1 P25103 1/20 0.34
FNTA P49354 3/20 0.33
FNTB P49356 3/20 0.33
OPRM1 P35372 2/20 0.33
OPRK1 P41145 2/20 0.33
OPRL1 P41146 2/20 0.33
AGTR1 P30556 1/20 0.32

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
SCHEMBL8991008 0.95 GHSR (0.44) GHSRDRD2DRD4DRD3TACR1
SCHEMBL8990862 0.94 GHSR (0.45) GHSRDRD2DRD4DRD3TACR1
SCHEMBL8991016 0.94 GHSR (0.44) GHSRDRD2DRD4DRD3TACR1
SCHEMBL8990953 0.93 GHSR (0.51) GHSRDRD2DRD4DRD3TACR1
SCHEMBL8991046 0.92 GHSR (0.38) GHSRTACR1FNTAFNTBOPRM1
SCHEMBL8990741 0.91 GHSR (0.45) GHSRDRD2DRD4DRD3TACR1
SCHEMBL8991015 0.91 GHSR (0.45) GHSRDRD2DRD4DRD3TACR1
SCHEMBL8990829 0.90 GHSR (0.52) GHSRDRD2DRD4DRD3TACR1
SCHEMBL8991037 0.89 GHSR (0.44) GHSRDRD2DRD4DRD3TACR1
SCHEMBL8990925 0.88 GHSR (0.49) GHSRTACR1OPRM1AGTR1

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 claimed
US-5545735-A ANIMAL GROWTH REGULATORS MERCK & CO., INC. (US) 1996-08-13 US disclosed