SCHEMBL7055987

SCHEMBL7055987

COc1cccc(CNC[C@H](O)[CH]Cc2ccc(Cl)cc2)c1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTT P42858 4/20 0.55
LMNA P02545 3/20 0.55
SMN1; SMN2 Q16637 3/20 0.55
GAA P10253 1/20 0.55
NPSR1 Q6W5P4 1/20 0.55
ALDH1A1 P00352 3/20 0.51
DRD2 P14416 1/20 0.49
DRD4 P21917 1/20 0.49
DNM1 Q05193 1/20 0.48
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
CHRM2 P08172 1/20 0.46
BCHE P06276 1/20 0.46
HDAC1 Q13547 2/20 0.46
HDAC3 O15379 1/20 0.45
HDAC2 Q92769 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
KDM4E B2RXH2 1/20 0.43
CTSD P07339 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
SCHEMBL7111374 0.92 HTT (0.52) HTTLMNASMN1; SMN2GAANPSR1
SCHEMBL7054663 0.90 DNM1 (0.55) HTTSMN1; SMN2ALDH1A1DNM1MEN1
SCHEMBL27593038 0.90 DNM1 (0.55) HTTSMN1; SMN2ALDH1A1DNM1MEN1
SCHEMBL7048773 0.90 DNM1 (0.54) HTTLMNASMN1; SMN2GAANPSR1
SCHEMBL7048367 0.90 BCHE (0.47) HTTLMNASMN1; SMN2GAANPSR1
SCHEMBL7112618 0.89 DNM1 (0.49) HTTSMN1; SMN2ALDH1A1DNM1MEN1
SCHEMBL27576822 0.89 DNM1 (0.49) HTTSMN1; SMN2ALDH1A1DNM1MEN1
SCHEMBL7055848 0.89 DNM1 (0.49) HTTSMN1; SMN2ALDH1A1DNM1MEN1
SCHEMBL7115591 0.88 DNM1 (0.48) HTTSMN1; SMN2GAAALDH1A1DNM1
SCHEMBL7053205 0.85 DNM1 (0.49) DNM1MEN1KMT2ACHRM2BCHE

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