SCHEMBL9103859

SCHEMBL9103859

CC(C)(C)NS(=O)(=O)c1ccccc1-c1ccc(CN2C(=O)[C@H](NC(=O)C(C)(C)N)CCc3cc(C(F)(F)F)ccc32)cc1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 4/20 0.55
FPR2 P25090 1/20 0.48
PTGER1 P34995 12/20 0.48
PTGER3 P43115 12/20 0.48
PTGER4 P35408 9/20 0.48
PTGER2 P43116 6/20 0.48
TBXA2R P21731 4/20 0.48
PTGFR P43088 4/20 0.48
PTGIR P43119 4/20 0.48
PTGDR Q13258 4/20 0.48
AGTR1 P30556 1/20 0.46
XIAP P98170 2/20 0.42

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
SCHEMBL9107063 0.92 GHSR (0.56) GHSRFPR2PTGER1PTGER3PTGER4
SCHEMBL9107736 0.92 GHSR (0.58) GHSRPTGER1PTGER3PTGER4PTGER2
SCHEMBL9102770 0.92 GHSR (0.57) GHSRFPR2PTGER1PTGER3PTGER4
SCHEMBL9109043 0.91 GHSR (0.57) GHSRFPR2PTGER1PTGER3PTGER4
SCHEMBL9107049 0.91 GHSR (0.53) GHSRPTGER1PTGER3PTGER4PTGER2
SCHEMBL9105549 0.89 GHSR (0.68) GHSRPTGER1PTGER3PTGER4PTGER2
SCHEMBL9106205 0.89 GHSR (0.56) GHSRFPR2PTGER1PTGER3PTGER4
SCHEMBL9103762 0.88 GHSR (0.55) GHSRFPR2PTGER1PTGER3PTGER4
SCHEMBL9221453 0.88 FPR2 (0.46) GHSRFPR2PTGER1PTGER3PTGER4
SCHEMBL9106203 0.85 GHSR (0.45) GHSRFPR2PTGER1PTGER3PTGER4

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
WO-1995003289-A1 BENZO-FUSED LACTAMS PROMOTE RELEASE OF GROWTH HORMONE MERCK & CO., INC. (US) 1995-02-02 WO claimed
US-5434261-A Benzo-fused lactams promote release of growth hormone MERCK & CO., INC. (US) 1995-07-18 US disclosed