SCHEMBL9107726

SCHEMBL9107726

CC(C)(N)CC(=O)N[C@@H]1CSc2cc(F)ccc2N(Cc2ccc(-c3ccccc3S(=O)(=O)NC(=O)c3ccccc3)cc2)C1=O

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 7/20 0.45
GHSR Q92847 1/20 0.45
AGTR2 P50052 8/20 0.44
PTGER1 P34995 2/20 0.41
PTGER3 P43115 2/20 0.41
PTGER2 P43116 2/20 0.41
TBXA2R P21731 1/20 0.41
PTGER4 P35408 1/20 0.41
PTGFR P43088 1/20 0.41
PTGIR P43119 1/20 0.41
PTGDR Q13258 1/20 0.41

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
SCHEMBL9223555 0.93 AGTR1 (0.45) AGTR1GHSRAGTR2PTGER1PTGER3
SCHEMBL9223195 0.92 AGTR2 (0.47) AGTR1GHSRAGTR2PTGER1PTGER3
SCHEMBL9104302 0.92 AGTR1 (0.50) AGTR1GHSRAGTR2PTGER1PTGER3
SCHEMBL9222506 0.91 AGTR1 (0.44) AGTR1GHSRAGTR2PTGER1PTGER3
SCHEMBL9223280 0.91 AGTR1 (0.44) AGTR1GHSRAGTR2PTGER1PTGER3
SCHEMBL9223283 0.90 GHSR (0.46) AGTR1GHSRPTGER1PTGER3PTGER2
SCHEMBL9221276 0.90 AGTR2 (0.40) AGTR1AGTR2PTGER1PTGER3PTGER2
SCHEMBL9216150 0.90 GHSR (0.45) AGTR1GHSRAGTR2PTGER1PTGER3
SCHEMBL9275499 0.90 GHSR (0.47) AGTR1GHSR
SCHEMBL9104528 0.88 GHSR (0.57) AGTR1GHSRAGTR2PTGER1PTGER3

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