SCHEMBL9220927

SCHEMBL9220927

CC(C)(N)C(=O)N[C@@H]1CSc2cc(C(F)(F)F)ccc2N(Cc2ccc(-c3ccccc3S(N)(=O)=O)cc2)C1=O

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 3/20 0.46
PTGER1 P34995 5/20 0.42
PTGER4 P35408 5/20 0.42
PTGER3 P43115 5/20 0.42
PTGER2 P43116 3/20 0.42
TBXA2R P21731 3/20 0.42
PTGFR P43088 3/20 0.42
PTGIR P43119 3/20 0.42
PTGDR Q13258 3/20 0.42
ALDH1A1 P00352 1/20 0.42
MAPT P10636 1/20 0.42
XBP1 P17861 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
SCN9A Q15858 2/20 0.42
XIAP P98170 1/20 0.41
FPR2 P25090 1/20 0.40
F10 P00742 6/20 0.39
PRSS1 P07477 3/20 0.38

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
SCHEMBL9215970 0.92 GHSR (0.47) GHSRPTGER1PTGER4PTGER3PTGER2
SCHEMBL9221453 0.92 FPR2 (0.46) GHSRPTGER1PTGER4PTGER3PTGER2
SCHEMBL9223472 0.92 GHSR (0.46) GHSRPTGER1PTGER4PTGER3PTGER2
SCHEMBL9220967 0.91 GHSR (0.46) GHSRPTGER1PTGER4PTGER3PTGER2
SCHEMBL9224963 0.90 AGTR2 (0.47) PTGER1PTGER4PTGER3PTGER2TBXA2R
SCHEMBL9222570 0.90 GHSR (0.51) GHSRPTGER1PTGER4PTGER3PTGER2
SCHEMBL9218152 0.89 SCN9A (0.45) GHSRSCN9AXIAPF10PRSS1
SCHEMBL9222613 0.89 GHSR (0.45) GHSRPTGER1PTGER4PTGER3PTGER2
SCHEMBL9102770 0.87 GHSR (0.57) GHSRPTGER1PTGER4PTGER3PTGER2
SCHEMBL9216442 0.86 GHSR (0.39) GHSRALDH1A1MAPTXBP1NPSR1

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