SCHEMBL7791647

SCHEMBL7791647

CCC(=O)N[C@@H]1CSc2cc(SC)ccc2N(Cc2ccc(-c3ccccc3CNC(=O)NCCO)cc2)C1=O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 4/20 0.54
XIAP P98170 2/20 0.38
AGTR1 P30556 1/20 0.35
HDAC3 O15379 1/20 0.34
HDAC4 P56524 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC7 Q8WUI4 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC10 Q969S8 1/20 0.34
HDAC11 Q96DB2 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
HDAC9 Q9UKV0 1/20 0.34
HDAC5 Q9UQL6 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
DRD2 P14416 5/20 0.33
DRD4 P21917 5/20 0.33
DRD3 P35462 5/20 0.33
F7 P08709 4/20 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
SCHEMBL7791541 0.94 GHSR (0.53) GHSRXIAPAGTR1HDAC3HDAC4
SCHEMBL7795636 0.94 GHSR (0.54) GHSRXIAPAGTR1HDAC3HDAC4
SCHEMBL7796066 0.93 GHSR (0.57) GHSRXIAPAGTR1HDAC3HDAC4
SCHEMBL7791686 0.93 GHSR (0.53) GHSRXIAPAGTR1HDAC3HDAC4
SCHEMBL8329860 0.91 GHSR (0.66) GHSRXIAPAGTR1HDAC3HDAC4
SCHEMBL7791823 0.91 GHSR (0.46) GHSRXIAPAGTR1HDAC3HDAC4
SCHEMBL7792151 0.90 GHSR (0.55) GHSRXIAPAGTR1DRD2DRD4
SCHEMBL7795546 0.90 GHSR (0.61) GHSRXIAPAGTR1DRD2DRD4
SCHEMBL7791742 0.89 GHSR (0.54) GHSRXIAPAGTR1DRD2DRD4
SCHEMBL7785956 0.89 GHSR (0.56) GHSRXIAPAGTR1F7F3

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
EP-0659179-B1 BENZO-FUSED LACTAMS PROMOTE RELEASE OF GROWTH HORMONE MERCK & CO INC (US) 2001-11-21 EP claimed
EP-0659179-B1 BENZO-FUSED LACTAMS PROMOTE RELEASE OF GROWTH HORMONE MERCK & CO INC (US) 2001-11-21 EP disclosed