SCHEMBL7791757

SCHEMBL7791757

CC(C)(N)C(=O)N[C@@H]1CSc2cc(C(F)(F)F)ccc2N(Cc2ccc(-c3ccccc3CNC(N)=O)cc2)C1=O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 4/20 0.56
F7 P08709 10/20 0.40
F3 P13726 10/20 0.40
F2 P00734 3/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
XBP1 P17861 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
XIAP P98170 1/20 0.39
THRB P10828 1/20 0.37
F10 P00742 2/20 0.37
AGTR1 P30556 1/20 0.36
HDAC3 O15379 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC10 Q969S8 1/20 0.36
HDAC11 Q96DB2 1/20 0.36
HDAC8 Q9BY41 1/20 0.36

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
SCHEMBL8333260 0.93 GHSR (0.66) GHSRF7F3F2ALDH1A1
SCHEMBL7785960 0.92 GHSR (0.47) GHSRF7F3F2ALDH1A1
SCHEMBL7791798 0.92 GHSR (0.67) GHSRF7F3F2ALDH1A1
SCHEMBL7786058 0.92 GHSR (0.57) GHSRF7F3F2XIAP
SCHEMBL7796084 0.92 GHSR (0.67) GHSRF7F3F2ALDH1A1
SCHEMBL7795578 0.91 GHSR (0.47) GHSRF7F3F2ALDH1A1
SCHEMBL7795973 0.90 GHSR (0.63) GHSRF7F3F2XIAP
SCHEMBL7785982 0.89 GHSR (0.55) GHSRF7F3F2XIAP
SCHEMBL7794398 0.89 GHSR (0.55) GHSRF7F3F2XIAP
SCHEMBL7794461 0.88 GHSR (0.69) GHSRXIAPAGTR1

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 1 patent. 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