SCHEMBL7051118

SCHEMBL7051118

Oc1ccc(C[CH][C@@H](O)CNCc2ccccc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 3/20 0.47
OPRK1 P41145 3/20 0.47
ALDH1A1 P00352 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
SLC16A3 O15427 1/20 0.44
LMNA P02545 2/20 0.43
DRD4 P21917 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
BCHE P06276 2/20 0.43
TRPV1 Q8NER1 1/20 0.41
ANPEP P15144 1/20 0.41
DNM1 Q05193 1/20 0.40

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
SCHEMBL5219600 0.92 ANPEP (0.46) ALDH1A1CYP1A2CYP2D6LMNAMEN1
SCHEMBL7118780 0.85 BCHE (0.61) MEN1KMT2ABCHE
SCHEMBL28748406 0.84 MEN1 (0.39) OPRD1OPRK1ALDH1A1SLC16A3LMNA
SCHEMBL6895986 0.83 MEN1 (0.51) ALDH1A1MEN1KMT2ABCHEANPEP
SCHEMBL28751162 0.81 MEN1 (0.54) ALDH1A1CYP1A2LMNAMEN1KMT2A
SCHEMBL7112618 0.81 DNM1 (0.49) OPRD1OPRK1ALDH1A1MEN1KMT2A
SCHEMBL7054852 0.76 ALDH1A1 (0.47) ALDH1A1CYP1A2CYP2D6MEN1KMT2A
SCHEMBL4427375 0.76 DRD4 (0.59) ALDH1A1DRD4MEN1KMT2ABCHE
SCHEMBL7053301 0.75 LMNA (0.47) ALDH1A1CYP1A2CYP2D6LMNAMEN1
SCHEMBL7054663 0.75 DNM1 (0.55) ALDH1A1MEN1KMT2ABCHEDNM1

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