SCHEMBL5686188

SCHEMBL5686188

COc1cc(OC)cc(N2CCCN(C(=O)OC(C)(C)C)CC2)c1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.54
LMNA P02545 2/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
ABCB1 P08183 2/20 0.53
ALDH1A1 P00352 2/20 0.53
L3MBTL1 Q9Y468 1/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
SUV39H2 Q9H5I1 2/20 0.49
PDK2 Q15119 1/20 0.49
CKS1B P61024 1/20 0.49
SKP1 P63208 1/20 0.49
SKP2 Q13309 1/20 0.49
GPR119 Q8TDV5 3/20 0.48
GALR2 O43603 1/20 0.48
GALR1 P47211 1/20 0.48
NAMPT P43490 1/20 0.46

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
SCHEMBL5233751 0.90 L3MBTL1 (0.66) MAPTLMNASMN1; SMN2ABCB1ALDH1A1
SCHEMBL5234323 0.89 ABCB1 (0.56) MAPTLMNASMN1; SMN2ABCB1ALDH1A1
SCHEMBL5683408 0.88 ABCB1 (0.60) MAPTLMNASMN1; SMN2ABCB1ALDH1A1
SCHEMBL5656725 0.87 CHRNB2 (0.53) MAPTLMNASMN1; SMN2ABCB1ALDH1A1
SCHEMBL24848428 0.86 ABCB1 (0.55) MAPTLMNASMN1; SMN2ABCB1ALDH1A1
SCHEMBL5682855 0.84 MAPT (0.52) MAPTLMNASMN1; SMN2ABCB1ALDH1A1
SCHEMBL1458624 0.83 L3MBTL1 (0.73) MAPTLMNASMN1; SMN2ABCB1ALDH1A1
SCHEMBL2385957 0.83 ABCB1 (0.59) MAPTLMNASMN1; SMN2ABCB1ALDH1A1
SCHEMBL29475535 0.83 GPR119 (0.59) MAPTLMNAABCB1ALDH1A1MEN1
SCHEMBL25317704 0.83 GPR119 (0.59) MAPTLMNAABCB1ALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1645556-A1 Arylpiperazine-benzoylamide derivatives useful as pharmaceutical agents Boehringer Ingelheim International GmbH (DE) 2006-04-12 EP disclosed