SCHEMBL8095747

SCHEMBL8095747

CC(C)C(C(N)=O)(c1ccccc1)N1CCCCC(NC(=O)c2cc3ccccc3n2CC(=O)O)C1=O

nearest known ligand 0.44

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
F10 P00742 15/20 0.44
F2 P00734 2/20 0.40
CNR2 P34972 2/20 0.39
MME P08473 2/20 0.38
ACE P12821 2/20 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
SCHEMBL8095859 1.00 F10 (0.44) F10F2CNR2MMEACE
SCHEMBL8089998 1.00 F10 (0.44) F10F2CNR2MMEACE
SCHEMBL8088999 0.91 CNR2 (0.44) F10CNR2
SCHEMBL8088996 0.91 CNR2 (0.44) F10CNR2
SCHEMBL8089888 0.83 F10 (0.41) F10F2CNR2
SCHEMBL8783598 0.82 ACE (0.44) F10MMEACE
SCHEMBL8095851 0.75 ACE (0.46) F10F2CNR2MMEACE
SCHEMBL8089993 0.75 ACE (0.46) F10F2CNR2MMEACE
SCHEMBL7752996 0.75 CCKBR (0.47) F10F2CNR2
SCHEMBL8797702 0.73 CCKBR (0.54)

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6096885-A EXHIBIT AGONIST ACTIVITY FOR CCK-A RECEPTORS THEREBY ENABLING THEM TO MODULATE THE HORMONES GASTRIN AND CHOLECYSTOKININ IN MAMMALS. GLAXO WELLCOME INC. (US) 2000-08-01 US claimed
US-6096885-A EXHIBIT AGONIST ACTIVITY FOR CCK-A RECEPTORS THEREBY ENABLING THEM TO MODULATE THE HORMONES GASTRIN AND CHOLECYSTOKININ IN MAMMALS. GLAXO WELLCOME INC. (US) 2000-08-01 US disclosed
EP-0785944-A1 ACYL AMINO ACETAMIDE DERIVATIVES WITH AGONIST ACTIVITY FOR CCK-A RECEPTORS GLAXO WELLCOME INC. (US) 1997-07-30 EP disclosed
WO-1996011940-A1 ACYL AMINO ACETAMIDE DERIVATIVES WITH AGONIST ACTIVITY FOR CCK-A RECEPTORS GLAXO WELLCOME INC. (US) 1996-04-25 WO disclosed