SCHEMBL6163052

SCHEMBL6163052

CC(C)(C)OC(=O)NC(C)(C)C(=O)NC(Cc1c[nH]c2cc(F)ccc12)C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 2/20 0.58
ACE P12821 4/20 0.52
ITGB2 P05107 3/20 0.50
ICAM1 P05362 3/20 0.50
ITGAL P20701 3/20 0.50
ADAM17 P78536 1/20 0.48
CTSL P07711 1/20 0.48
CTSS P25774 1/20 0.48
CTSK P43235 1/20 0.48
TACR1 P25103 2/20 0.47
MAPT P10636 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
TP53 P04637 1/20 0.44
ALOX15 P16050 1/20 0.44
MEN1 O00255 1/20 0.44
POLB P06746 1/20 0.44
KMT2A Q03164 1/20 0.44
TGM2 P21980 1/20 0.43
P2RY14 Q15391 1/20 0.43

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
SCHEMBL3014096 0.91 SCN9A (0.68) SCN9AACEITGB2ICAM1ITGAL
SCHEMBL11439689 0.91 SCN9A (0.68) SCN9AACEITGB2ICAM1ITGAL
SCHEMBL5253093 0.86 ACE (0.70) SCN9AACEITGB2ICAM1ITGAL
SCHEMBL5253098 0.86 ACE (0.70) SCN9AACEITGB2ICAM1ITGAL
SCHEMBL10174744 0.86 ACE (0.70) SCN9AACEITGB2ICAM1ITGAL
SCHEMBL23270828 0.83 SCN9A (0.63) SCN9AACEITGB2ICAM1ITGAL
SCHEMBL8939508 0.83 SCN9A (0.63) SCN9AACEITGB2ICAM1ITGAL
SCHEMBL31278511 0.83 SCN9A (0.63) SCN9AACEITGB2ICAM1ITGAL
SCHEMBL30346564 0.81 SCN9A (0.53) SCN9AACEADAM17CTSLCTSS
SCHEMBL29280817 0.81 SCN9A (0.53) SCN9AACEADAM17CTSLCTSS

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
EP-0828754-B1 DIPEPTIDES WHICH PROMOTE RELEASE OF GROWTH HORMONE PFIZER (US) 2005-02-02 EP disclosed
US-5936089-A PIPERIDINE DERIVATIVES; BONE DISORDERS; OBESITY; AGING; CACHEXIA ASSOCIATED WITH AIDS AND CANCER PFIZER INC (US) 1999-08-10 US disclosed