SCHEMBL8991013

SCHEMBL8991013

CC(C)(N)C(=O)N[C@@H]1Sc2cc(F)ccc2CN(Cc2ccc(-c3ccccc3CNC(=O)NCCO)cc2)C1=O

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 3/20 0.56
DRD2 P14416 7/20 0.37
DRD4 P21917 7/20 0.37
DRD3 P35462 7/20 0.37
KCNA5 P22460 6/20 0.35
KCNH2 Q12809 1/20 0.35
OPRM1 P35372 1/20 0.34
OPRK1 P41145 1/20 0.34
OPRL1 P41146 1/20 0.34
ALOX5 P09917 1/20 0.32
EPHX2 P34913 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
MLNR O43193 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
SCHEMBL8990780 0.94 GHSR (0.56) GHSRDRD2DRD4DRD3KCNA5
SCHEMBL8990935 0.93 GHSR (0.55) GHSRDRD2DRD4DRD3KCNA5
SCHEMBL8990887 0.91 GHSR (0.46) GHSRKCNA5KCNH2OPRM1OPRK1
SCHEMBL8990941 0.91 GHSR (0.62) GHSRDRD2DRD4DRD3HTR1A
SCHEMBL8990929 0.90 GHSR (0.55) GHSRDRD2DRD4DRD3KCNA5
SCHEMBL8990958 0.86 GHSR (0.61) GHSRDRD2DRD4DRD3KCNA5
SCHEMBL8990881 0.86 GHSR (0.44) GHSRDRD2DRD4DRD3KCNA5
SCHEMBL8990767 0.85 GHSR (0.48) GHSRDRD2DRD4DRD3KCNA5
SCHEMBL8990983 0.85 GHSR (0.62) GHSROPRM1OPRK1OPRL1
SCHEMBL8990822 0.84 GHSR (0.55) GHSRDRD2DRD4DRD3KCNA5

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