SCHEMBL9215970

SCHEMBL9215970

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 4/20 0.47
AGTR1 P30556 1/20 0.47
SCN9A Q15858 2/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
XBP1 P17861 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
XIAP P98170 1/20 0.39
FPR2 P25090 3/20 0.39
F10 P00742 4/20 0.38
F7 P08709 4/20 0.38
F3 P13726 4/20 0.38
F2 P00734 3/20 0.38
FPR1 P21462 2/20 0.38
PTGER1 P34995 3/20 0.37
PTGER4 P35408 3/20 0.37
PTGER3 P43115 3/20 0.37
PTGER2 P43116 3/20 0.37
TBXA2R P21731 2/20 0.37
PTGFR P43088 2/20 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
SCHEMBL9275499 0.92 GHSR (0.47) GHSRAGTR1SCN9AXIAPFPR2
SCHEMBL9220927 0.92 GHSR (0.46) GHSRSCN9AALDH1A1MAPTXBP1
SCHEMBL9224430 0.92 GHSR (0.45) GHSRAGTR1ALDH1A1MAPTXBP1
SCHEMBL9223555 0.90 AGTR1 (0.45) GHSRAGTR1PTGER1PTGER4PTGER3
SCHEMBL9216442 0.90 GHSR (0.39) GHSRAGTR1SCN9AALDH1A1MAPT
SCHEMBL9222696 0.89 GHSR (0.38) GHSRAGTR1SCN9AALDH1A1MAPT
SCHEMBL9223030 0.89 GHSR (0.46) GHSRAGTR1SCN9AXIAPF10
SCHEMBL9224502 0.89 GHSR (0.46) GHSRAGTR1SCN9AXIAPF10
SCHEMBL9107627 0.88 GHSR (0.58) GHSRAGTR1SCN9AXIAPFPR2
SCHEMBL7785960 0.86 GHSR (0.47) GHSRAGTR1ALDH1A1MAPTXBP1

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 1 patent. 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