SCHEMBL9102872

SCHEMBL9102872

CC(C)(N)CC(=O)N[C@@H]1CCc2ccccc2N(Cc2ccc(-c3ccccc3S(=O)(=O)NC(=O)c3ccccc3)cc2)C1=O

nearest known ligand 0.67

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 4/20 0.67
AGTR1 P30556 1/20 0.67
PTGER1 P34995 14/20 0.54
PTGER3 P43115 14/20 0.54
PTGER2 P43116 8/20 0.54
PTGER4 P35408 11/20 0.54
TBXA2R P21731 4/20 0.54
PTGFR P43088 4/20 0.54
PTGIR P43119 4/20 0.54
PTGDR Q13258 4/20 0.54
XIAP P98170 1/20 0.50

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
SCHEMBL9109383 0.92 GHSR (0.64) GHSRAGTR1PTGER1PTGER3PTGER2
SCHEMBL9104528 0.92 GHSR (0.57) GHSRAGTR1PTGER1PTGER3PTGER2
SCHEMBL9108750 0.91 GHSR (0.56) GHSRAGTR1PTGER1PTGER3PTGER2
SCHEMBL9105184 0.91 GHSR (0.56) GHSRAGTR1PTGER1PTGER3PTGER2
SCHEMBL9106416 0.90 GHSR (0.55) GHSRAGTR1PTGER1PTGER3PTGER2
SCHEMBL9109281 0.90 GHSR (0.65) GHSRAGTR1PTGER1PTGER3PTGER2
SCHEMBL9108769 0.89 GHSR (0.68) GHSRAGTR1PTGER1PTGER3PTGER2
SCHEMBL9102853 0.89 GHSR (0.67) GHSRAGTR1PTGER1PTGER3PTGER2
SCHEMBL9104589 0.89 GHSR (0.71) GHSRAGTR1PTGER1PTGER3PTGER2
SCHEMBL9107024 0.88 GHSR (0.53) GHSRAGTR1PTGER1PTGER3PTGER2

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