SCHEMBL9102800

SCHEMBL9102800

COc1ccc2c(c1)CC[C@@H](NC(=O)CC(C)(C)N)C(=O)N2Cc1ccc(-c2ccccc2S(=O)(=O)NC(C)(C)C)cc1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 4/20 0.57
AGTR1 P30556 1/20 0.57
XIAP P98170 2/20 0.46
PTGER1 P34995 7/20 0.43
PTGER3 P43115 7/20 0.43
PTGER4 P35408 6/20 0.43
PTGER2 P43116 5/20 0.42
TBXA2R P21731 3/20 0.41
PTGFR P43088 3/20 0.41
PTGIR P43119 3/20 0.41
PTGDR Q13258 3/20 0.41
NPY1R P25929 1/20 0.41
FPR2 P25090 2/20 0.40
FPR1 P21462 1/20 0.40
F10 P00742 1/20 0.40
PRSS1 P07477 1/20 0.40

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
SCHEMBL9105003 0.92 GHSR (0.56) GHSRAGTR1XIAPPTGER1PTGER3
SCHEMBL9106205 0.92 GHSR (0.56) GHSRAGTR1XIAPPTGER1PTGER3
SCHEMBL9107058 0.92 GHSR (0.59) GHSRAGTR1XIAPNPY1RFPR2
SCHEMBL9106368 0.91 GHSR (0.57) GHSRAGTR1XIAPPTGER1PTGER3
SCHEMBL9108769 0.91 GHSR (0.68) GHSRAGTR1XIAPPTGER1PTGER3
SCHEMBL9105184 0.90 GHSR (0.56) GHSRAGTR1XIAPPTGER1PTGER3
SCHEMBL9102845 0.90 GHSR (0.56) GHSRAGTR1XIAPPTGER1PTGER3
SCHEMBL9107063 0.90 GHSR (0.56) GHSRAGTR1XIAPPTGER1PTGER3
SCHEMBL9107737 0.89 XIAP (0.46) GHSRAGTR1XIAPPTGER1PTGER3
SCHEMBL9109511 0.88 GHSR (0.45) GHSRAGTR1XIAPPTGER1PTGER3

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 3 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
WO-1995003289-A1 BENZO-FUSED LACTAMS PROMOTE RELEASE OF GROWTH HORMONE MERCK & CO., INC. (US) 1995-02-02 WO disclosed