SCHEMBL9107627

SCHEMBL9107627

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

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 4/20 0.58
AGTR1 P30556 1/20 0.58
XIAP P98170 5/20 0.43
PTGER1 P34995 5/20 0.42
PTGER3 P43115 5/20 0.42
PTGER4 P35408 4/20 0.42
PTGER2 P43116 4/20 0.42
TBXA2R P21731 2/20 0.42
PTGFR P43088 2/20 0.42
PTGIR P43119 2/20 0.42
PTGDR Q13258 2/20 0.42
SCN9A Q15858 2/20 0.41
FPR2 P25090 2/20 0.41
FPR1 P21462 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
SCHEMBL9107063 0.92 GHSR (0.56) GHSRAGTR1XIAPPTGER1PTGER3
SCHEMBL9102770 0.92 GHSR (0.57) GHSRAGTR1XIAPPTGER1PTGER3
SCHEMBL9107730 0.92 GHSR (0.56) GHSRAGTR1XIAPPTGER1PTGER3
SCHEMBL9105224 0.91 GHSR (0.59) GHSRAGTR1XIAPPTGER1PTGER3
SCHEMBL9108750 0.90 GHSR (0.56) GHSRAGTR1PTGER1PTGER3PTGER4
SCHEMBL9104589 0.89 GHSR (0.71) GHSRAGTR1XIAPPTGER1PTGER3
SCHEMBL9105885 0.89 GHSR (0.47) GHSRAGTR1XIAPPTGER1PTGER3
SCHEMBL9107058 0.89 GHSR (0.59) GHSRAGTR1XIAPSCN9AFPR2
SCHEMBL9109380 0.89 GHSR (0.47) GHSRAGTR1XIAPPTGER1PTGER3
SCHEMBL9104971 0.88 GHSR (0.58) 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