SCHEMBL9108750

SCHEMBL9108750

CC(C)(N)CC(=O)N[C@@H]1CCc2cc(C(F)(F)F)ccc2N(Cc2ccc(-c3ccccc3S(=O)(=O)NC(=O)c3ccccc3)cc2)C1=O

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 4/20 0.56
AGTR1 P30556 2/20 0.56
PTGER1 P34995 8/20 0.47
PTGER3 P43115 8/20 0.47
PTGER4 P35408 7/20 0.47
PTGER2 P43116 5/20 0.47
TBXA2R P21731 3/20 0.47
PTGFR P43088 3/20 0.47
PTGIR P43119 3/20 0.47
PTGDR Q13258 3/20 0.47
AGTR2 P50052 3/20 0.43

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
SCHEMBL9104528 0.93 GHSR (0.57) GHSRAGTR1PTGER1PTGER3PTGER4
SCHEMBL9107049 0.93 GHSR (0.53) GHSRAGTR1PTGER1PTGER3PTGER4
SCHEMBL9107063 0.91 GHSR (0.56) GHSRAGTR1PTGER1PTGER3PTGER4
SCHEMBL9102872 0.91 GHSR (0.67) GHSRAGTR1PTGER1PTGER3PTGER4
SCHEMBL9105184 0.91 GHSR (0.56) GHSRAGTR1PTGER1PTGER3PTGER4
SCHEMBL9107730 0.91 GHSR (0.56) GHSRAGTR1PTGER1PTGER3PTGER4
SCHEMBL9107627 0.90 GHSR (0.58) GHSRAGTR1PTGER1PTGER3PTGER4
SCHEMBL9106416 0.90 GHSR (0.55) GHSRAGTR1PTGER1PTGER3PTGER4
SCHEMBL9103755 0.89 AGTR1 (0.45) GHSRAGTR1PTGER1PTGER3PTGER4
SCHEMBL9105244 0.89 AGTR1 (0.44) GHSRAGTR1PTGER1PTGER3PTGER4

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