SCHEMBL7972862

SCHEMBL7972862

CC(NC(=O)O)C(=O)N[C@H](COCc1ccccc1)C(=O)[C@H]1NCCC2=NN(CC(F)(F)F)C(=O)[C@@]21Cc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 5/20 0.43
MME P08473 1/20 0.34
PSMB8 P28062 2/20 0.32
PSMB9 P28065 2/20 0.32
PSMB5 P28074 2/20 0.32
REN P00797 1/20 0.32
MMP9 P14780 1/20 0.31
MMP14 P50281 1/20 0.31
CTSS P25774 5/20 0.31
SCN9A Q15858 1/20 0.30
PSMB1 P20618 1/20 0.30
PSMB10 P40306 1/20 0.30
PSMB2 P49721 1/20 0.30

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
SCHEMBL7674686 0.74 GHSR (0.48) GHSRRENCTSS
SCHEMBL5246274 0.65 GHSR (0.87) GHSR
SCHEMBL5246285 0.65 GHSR (0.87) GHSR
Hydrochloric Acid SCHEMBL5250982 0.65 GHSR (0.86) GHSR
Hydrochloric Acid SCHEMBL5246636 0.65 GHSR (0.86) GHSR
Hydrochloric Acid SCHEMBL5246628 0.65 GHSR (0.86) GHSR
SCHEMBL5254218 0.63 GHSR (0.71) GHSRCTSSSCN9A
SCHEMBL5254220 0.63 GHSR (0.71) GHSRCTSSSCN9A
SCHEMBL5254225 0.63 GHSR (0.71) GHSRCTSSSCN9A
SCHEMBL6217630 0.62 GHSR (0.42) GHSRMMP9

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
US-6313140-B1 ADMINISTERING TO A HUMAN OR OTHER ANIMAL PYRAZOLOPYRIMIDINE DERIVATIVE FOR PROPHYLAXIS OR THERAPY OF DISEASE OR CONDITION WHICH MAY BE TREATED OR PREVENTED BY GROWTH HORMONE PFIZER INC. 2001-11-06 US disclosed