SCHEMBL6890169

SCHEMBL6890169

NC(Cc1ccccc1)C(O)CNCCc1ccc(Cl)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 1/20 0.48
ERAP2 Q6P179 1/20 0.48
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
MAPT P10636 1/20 0.46
MAPK1 P28482 1/20 0.46
ADRB2 P07550 5/20 0.45
ADRB1 P08588 1/20 0.45
ADRB3 P13945 1/20 0.45
BCHE P06276 1/20 0.44
SLC6A4 P31645 1/20 0.44
TAAR1 Q96RJ0 1/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
PLAAT3 P53816 1/20 0.43
PLAAT5 Q96KN8 1/20 0.43
PLAAT2 Q9NWW9 1/20 0.43
PLAAT4 Q9UL19 1/20 0.43

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
SCHEMBL3348102 1.00 ANPEP (0.48) ANPEPERAP2MEN1KMT2ASMN1; SMN2
Hydrochloric Acid SCHEMBL5220285 0.99 ANPEP (0.47) ANPEPERAP2MEN1KMT2ASMN1; SMN2
SCHEMBL4044665 0.92 ANPEP (0.55) ANPEPERAP2SMN1; SMN2MAPTADRB2
SCHEMBL3347864 0.92 ANPEP (0.55) ANPEPERAP2SMN1; SMN2MAPTADRB2
SCHEMBL496056 0.92 ANPEP (0.55) ANPEPERAP2SMN1; SMN2MAPTADRB2
SCHEMBL4696783 0.92 ANPEP (0.55) ANPEPERAP2SMN1; SMN2MAPTADRB2
Hydrochloric Acid SCHEMBL496686 0.90 ANPEP (0.54) ANPEPERAP2MAPTADRB2ADRB1
Hydrochloric Acid SCHEMBL5219517 0.90 ANPEP (0.54) ANPEPERAP2MAPTADRB2ADRB1
SCHEMBL3351268 0.87 ALDH1A1 (0.47) ANPEPERAP2MEN1KMT2ASMN1; SMN2
SCHEMBL3348066 0.86 KDM4E (0.51) ANPEPERAP2KMT2AADRB2ADRB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2004502669-A 2004-01-29 JP claimed
EP-1353898-A2 COMPOUNDS TO TREAT ALZHEIMER'S DISEASE Elan Pharmaceuticals, Inc. (US) 2003-10-22 EP claimed
WO-2002002512-A2 COMPOUNDS TO TREAT ALZHEIMER'S DISEASE ELAN PHARMACEUTICALS, INC. (US) 2002-01-10 WO claimed