SCHEMBL9109380

SCHEMBL9109380

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

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 4/20 0.47
AGTR1 P30556 1/20 0.47
XIAP P98170 7/20 0.40
PTGER1 P34995 4/20 0.38
PTGER4 P35408 4/20 0.38
PTGER3 P43115 4/20 0.38
PTGER2 P43116 3/20 0.38
TBXA2R P21731 2/20 0.38
PTGFR P43088 2/20 0.38
PTGIR P43119 2/20 0.38
PTGDR Q13258 2/20 0.38
SCN9A Q15858 1/20 0.38
FPR2 P25090 2/20 0.38
FPR1 P21462 1/20 0.37

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
SCHEMBL9105885 0.94 GHSR (0.47) GHSRAGTR1XIAPPTGER1PTGER4
SCHEMBL9103754 0.92 GHSR (0.44) GHSRAGTR1XIAPPTGER1PTGER4
SCHEMBL9106599 0.92 GHSR (0.47) GHSRAGTR1XIAP
SCHEMBL9106243 0.92 GHSR (0.44) GHSRAGTR1XIAPPTGER1PTGER4
SCHEMBL9105244 0.91 AGTR1 (0.44) GHSRAGTR1PTGER1PTGER4PTGER3
SCHEMBL9106130 0.91 GHSR (0.56) GHSRAGTR1XIAPPTGER1PTGER4
SCHEMBL9108088 0.90 GHSR (0.47) GHSRAGTR1XIAPSCN9AFPR2
SCHEMBL9103376 0.90 GHSR (0.47) GHSRAGTR1XIAPPTGER1PTGER4
SCHEMBL9107627 0.89 GHSR (0.58) GHSRAGTR1XIAPPTGER1PTGER4
SCHEMBL9222696 0.89 GHSR (0.38) GHSRAGTR1XIAPSCN9AFPR2

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