SCHEMBL8081898

SCHEMBL8081898

CC(C)N(C(=O)CN1CCCCC(C(N)=O)C1=O)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.45
LMNA P02545 1/20 0.43
TP53 P04637 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
ACE P12821 7/20 0.41
MC4R P32245 1/20 0.41
MC1R Q01726 1/20 0.41
CCKAR P32238 6/20 0.41
CCKBR P32239 5/20 0.41
CHRM2 P08172 1/20 0.39
CHRM1 P11229 1/20 0.39
CHRM3 P20309 1/20 0.39
MME P08473 1/20 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
SCHEMBL8089886 0.85 ALDH1A1 (0.43) ALDH1A1LMNATP53SMN1; SMN2ACE
SCHEMBL8784568 0.78 NPY1R (0.59) ACECCKARCCKBRMME
SCHEMBL8089889 0.78 NPY1R (0.59) ACECCKARCCKBRMME
SCHEMBL8784561 0.78 NPY1R (0.59) ACECCKARCCKBRMME
SCHEMBL4703615 0.72 ACE (0.47) ALDH1A1ACE
SCHEMBL17775470 0.72 POLQ (0.47)
SCHEMBL17779665 0.71 DRD4 (0.44) ACE
SCHEMBL8089993 0.71 ACE (0.46) ACECCKARCCKBRMME
SCHEMBL6198420 0.70 L3MBTL1 (0.47) ALDH1A1ACE
SCHEMBL4706052 0.70 L3MBTL1 (0.35) ALDH1A1LMNAACECHRM2CHRM1

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