SCHEMBL9105885

SCHEMBL9105885

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

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 4/20 0.47
AGTR1 P30556 1/20 0.47
XIAP P98170 10/20 0.42
FPR1 P21462 1/20 0.39
FPR2 P25090 1/20 0.39
PTGER1 P34995 2/20 0.38
PTGER3 P43115 2/20 0.38
PTGER2 P43116 2/20 0.38
TBXA2R P21731 1/20 0.38
PTGER4 P35408 1/20 0.38
PTGFR P43088 1/20 0.38
PTGIR P43119 1/20 0.38
PTGDR Q13258 1/20 0.38
SCN9A Q15858 1/20 0.38

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
SCHEMBL9109380 0.94 GHSR (0.47) GHSRAGTR1XIAPFPR1FPR2
SCHEMBL9106203 0.92 GHSR (0.45) GHSRAGTR1XIAPFPR2PTGER1
SCHEMBL9105265 0.92 GHSR (0.48) GHSRAGTR1XIAP
SCHEMBL9105761 0.92 GHSR (0.44) GHSRAGTR1XIAPPTGER1PTGER3
SCHEMBL9103755 0.91 AGTR1 (0.45) GHSRAGTR1XIAPPTGER1PTGER3
SCHEMBL9106313 0.91 GHSR (0.56) GHSRAGTR1XIAPPTGER1PTGER3
SCHEMBL9105600 0.90 GHSR (0.47) GHSRAGTR1XIAPSCN9A
SCHEMBL9107619 0.90 GHSR (0.47) GHSRAGTR1XIAPPTGER1PTGER3
SCHEMBL9107627 0.89 GHSR (0.58) GHSRAGTR1XIAPFPR1FPR2
SCHEMBL9216442 0.88 GHSR (0.39) GHSRAGTR1XIAPFPR1FPR2

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