SCHEMBL5776881

SCHEMBL5776881

CCOC(=O)CCn1c(CC(=O)OCC)nc2c(N3CCN(C(=O)OC(C)(C)C)CC3)cccc21

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.43
MAPT P10636 1/20 0.43
GAA P10253 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
NPY1R P25929 2/20 0.40
CKS1B P61024 2/20 0.39
SKP1 P63208 2/20 0.39
SKP2 Q13309 2/20 0.39
CNR2 P34972 3/20 0.39
ACHE P22303 2/20 0.39
TMEM97 Q5BJF2 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
KCNH2 Q12809 1/20 0.38
CHRM2 P08172 1/20 0.37
CHRM4 P08173 1/20 0.37
CHRM1 P11229 1/20 0.37
CHRM3 P20309 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
SCHEMBL5775785 0.90 KCNH2 (0.41) ALDH1A1MAPTGAASMN1; SMN2L3MBTL1
SCHEMBL7655147 0.86 CNR2 (0.45) ALDH1A1MAPTNPY1RCNR2TMEM97
SCHEMBL5778204 0.84 HTR6 (0.42) NPY1RCNR2
SCHEMBL4878710 0.76 ACHE (0.42) ALDH1A1MAPTGAASMN1; SMN2CKS1B
SCHEMBL5774251 0.75 ALDH1A1 (0.41) ALDH1A1MAPTL3MBTL1NPY1RCNR2
SCHEMBL1491176 0.72 SMN1; SMN2 (0.51) ALDH1A1MAPTGAASMN1; SMN2L3MBTL1
SCHEMBL3260753 0.72 SMN1; SMN2 (0.51) ALDH1A1MAPTGAASMN1; SMN2L3MBTL1
SCHEMBL8139472 0.70 SMN1; SMN2 (0.54) ALDH1A1MAPTGAASMN1; SMN2L3MBTL1
SCHEMBL25103465 0.70 SMARCA2 (0.47) ALDH1A1MAPTCKS1BSKP1SKP2
SCHEMBL27250071 0.70 CKS1B (0.47) ALDH1A1MAPTCKS1BSKP1SKP2

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-1200433-B1 C-6 RING-SUBSTITUTED PYRIDO[1,2-a]BENZIMIDAZOLE DERIVATIVES USEFUL IN TREATING CENTRAL NERVOUS SYSTEM DISORDERS ORTHO MCNEIL PHARM INC (US) 2006-03-22 EP disclosed
US-6358946-B1 ANTIDEPRESSANTS, ANXIOLYTIC AGENTS, SEDATIVES, MUSCLE RELAXANTS, ANTICONVULSANTS, AND HYPNOSIS AGENTS; SLEEP DISORDER TREATMENT ORTHO-MCNEIL PHARMACEUTICAL, INC. 2002-03-19 US disclosed