SCHEMBL8990988

SCHEMBL8990988

C[C@@H](O)CNC(C)(C)CC(=O)N[C@@H]1Sc2ccccc2CN(Cc2ccc(-c3ccccc3NC(=O)NCCO)cc2)C1=O

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 4/20 0.38
AGTR1 P30556 1/20 0.33
HDAC1 Q13547 1/20 0.32
PTGER1 P34995 1/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
KMT2A Q03164 1/20 0.32
DRD2 P14416 2/20 0.31
DRD4 P21917 2/20 0.31
DRD3 P35462 2/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL8990726 0.94 GHSR (0.37) GHSRAGTR1HDAC1PTGER1DRD2
SCHEMBL8991018 0.93 GHSR (0.35) GHSRAGTR1HDAC1PTGER1MEN1
SCHEMBL8990964 0.92 GHSR (0.34) GHSRAGTR1MEN1ALDH1A1KMT2A
SCHEMBL8991050 0.91 GHSR (0.34) GHSRMEN1KMT2ADRD2DRD4
SCHEMBL8990978 0.91 GHSR (0.34) GHSR
SCHEMBL8990933 0.90 GHSR (0.49) GHSRAGTR1PTGER1DRD2DRD4
SCHEMBL8990880 0.90 GHSR (0.42) GHSRAGTR1HDAC1PTGER1MEN1
SCHEMBL8990833 0.87 GHSR (0.35) GHSRAGTR1HDAC1PTGER1MEN1
SCHEMBL8990916 0.87 GHSR (0.39) GHSRAGTR1DRD2DRD4DRD3
SCHEMBL8990950 0.87 ADRB2 (0.33) GHSRAGTR1HDAC1MEN1ALDH1A1

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