SCHEMBL8081902

SCHEMBL8081902

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

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.37
CHRM3 P20309 7/20 0.37
CHRM2 P08172 2/20 0.37
CHRM1 P11229 2/20 0.37
ALDH1A1 P00352 2/20 0.35
MCOLN3 Q8TDD5 1/20 0.35
LMNA P02545 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
MAPT P10636 1/20 0.34
NPY2R P49146 1/20 0.33
KDM4E B2RXH2 1/20 0.33
KEAP1 Q14145 1/20 0.33
NFE2L2 Q16236 1/20 0.33

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
SCHEMBL8090034 0.78 KMT2A (0.35) KMT2ACHRM3CYP1A2CYP2D6MAPT
SCHEMBL6904260 0.74 ACE (0.39)
SCHEMBL8095859 0.72 F10 (0.44)
SCHEMBL8089998 0.72 F10 (0.44)
SCHEMBL6906918 0.70 AADAT (0.36) KMT2ACHRM3ALDH1A1LMNACYP1A2
SCHEMBL12493537 0.66 FPR2 (0.37)
SCHEMBL5638260 0.65 ALDH1A1 (0.69) ALDH1A1KDM4E
SCHEMBL10793019 0.64 ACE (0.51) MAPTKDM4E
SCHEMBL10793023 0.64 ACE (0.51) MAPTKDM4E
SCHEMBL7340816 0.64 ACE (0.51) MAPTKDM4E

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