SCHEMBL9216016

SCHEMBL9216016

CCNS(=O)(=O)c1ccccc1-c1ccc(CN2C(=O)[C@H](NC(=O)CC(C)(C)NC[C@@H](C)O)CSc3cc(C(F)(F)F)ccc32)cc1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
XIAP P98170 1/20 0.37
AGTR1 P30556 3/20 0.36
GHSR Q92847 2/20 0.36
PTGER1 P34995 8/20 0.36
PTGER3 P43115 8/20 0.36
PTGER4 P35408 6/20 0.36
PTGER2 P43116 5/20 0.36
TBXA2R P21731 3/20 0.36
PTGFR P43088 3/20 0.36
PTGIR P43119 3/20 0.36
PTGDR Q13258 3/20 0.36
FPR2 P25090 2/20 0.35
FPR1 P21462 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
XBP1 P17861 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
AGTR2 P50052 2/20 0.34

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
SCHEMBL9223402 0.93 XIAP (0.38) XIAPAGTR1GHSRPTGER1PTGER3
SCHEMBL9216442 0.92 GHSR (0.39) XIAPAGTR1GHSRFPR2FPR1
SCHEMBL9224345 0.92 XIAP (0.43) XIAPAGTR1GHSRPTGER1PTGER3
SCHEMBL9289634 0.91 AGTR2 (0.40) AGTR1PTGER1PTGER3PTGER4PTGER2
SCHEMBL9222553 0.91 XIAP (0.37) XIAPAGTR1GHSRPTGER1PTGER3
SCHEMBL9221294 0.91 XIAP (0.37) XIAPAGTR1GHSRPTGER1PTGER3
SCHEMBL9224430 0.90 GHSR (0.45) XIAPAGTR1GHSRPTGER1PTGER3
SCHEMBL9105761 0.89 GHSR (0.44) XIAPAGTR1GHSRPTGER1PTGER3
SCHEMBL7792292 0.86 GHSR (0.51) XIAPAGTR1GHSRFPR2FPR1
SCHEMBL9220967 0.86 GHSR (0.46) XIAPGHSRPTGER1PTGER3PTGER4

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
WO-1995003289-A1 BENZO-FUSED LACTAMS PROMOTE RELEASE OF GROWTH HORMONE MERCK & CO., INC. (US) 1995-02-02 WO claimed