SCHEMBL9216442

SCHEMBL9216442

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

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 4/20 0.39
XIAP P98170 1/20 0.39
AGTR1 P30556 1/20 0.39
SCN9A Q15858 2/20 0.37
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
XBP1 P17861 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
FPR2 P25090 5/20 0.36
FPR1 P21462 4/20 0.36
F10 P00742 3/20 0.36
F7 P08709 4/20 0.34
F3 P13726 4/20 0.34
F2 P00734 3/20 0.34

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
SCHEMBL9222696 0.94 GHSR (0.38) GHSRXIAPAGTR1SCN9AALDH1A1
SCHEMBL9224646 0.93 XIAP (0.39) GHSRXIAPAGTR1FPR2FPR1
SCHEMBL9216016 0.92 XIAP (0.37) GHSRXIAPAGTR1ALDH1A1MAPT
SCHEMBL9218242 0.91 XIAP (0.45) GHSRXIAPAGTR1F10F7
SCHEMBL9289634 0.91 AGTR2 (0.40) AGTR1
SCHEMBL9215959 0.90 F10 (0.40) GHSRXIAPAGTR1SCN9AF10
SCHEMBL9222552 0.90 GHSR (0.38) GHSRXIAPAGTR1F10
SCHEMBL9215970 0.90 GHSR (0.47) GHSRXIAPAGTR1SCN9AALDH1A1
SCHEMBL9105885 0.88 GHSR (0.47) GHSRXIAPAGTR1SCN9AFPR2
SCHEMBL7792068 0.88 GHSR (0.44) GHSRXIAPAGTR1ALDH1A1MAPT

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