SCHEMBL331200

SCHEMBL331200

Nc1cccc(F)c1[C@@H]1CCN(Cc2ccccc2)C1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.48
GAA P10253 1/20 0.48
HDAC3 O15379 1/20 0.46
HDAC4 P56524 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC7 Q8WUI4 1/20 0.46
HDAC2 Q92769 1/20 0.46
HDAC10 Q969S8 1/20 0.46
HDAC11 Q96DB2 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
HDAC9 Q9UKV0 1/20 0.46
HDAC5 Q9UQL6 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
SIGMAR1 Q99720 1/20 0.45
ACHE P22303 6/20 0.45
BCHE P06276 4/20 0.45
BACE1 P56817 4/20 0.45
DRD2 P14416 1/20 0.45
CCR5 P51681 1/20 0.44

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
SCHEMBL4896785 0.79 MEN1 (0.54) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL4896796 0.79 MEN1 (0.54) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL1546767 0.77 DRD2 (0.50) KDM4EGAAHDAC3HDAC4HDAC1
SCHEMBL1546751 0.77 HTR6 (0.50) KDM4EGAAL3MBTL1SIGMAR1ACHE
SCHEMBL20148966 0.77 CCR5 (0.48) KDM4EGAAL3MBTL1SIGMAR1DRD2
SCHEMBL6045689 0.74 MEN1 (0.62) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL7583523 0.73 MEN1 (0.58) KDM4EGAAHDAC3HDAC4HDAC1
SCHEMBL3436191 0.73 DRD4 (0.43) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL8594675 0.73 L3MBTL1 (0.55) KDM4EGAAL3MBTL1SIGMAR1DRD2
SCHEMBL6023725 0.73 MEN1 (0.68) SIGMAR1ACHEBCHEBACE1DRD2

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
EP-2407451-A1 N,N-substituted 3-aminopyrrolidine compounds useful as monoamines reuptake inhibitors Otsuka Pharmaceutical Co., Ltd. (JP) 2012-01-18 EP disclosed
EP-1881975-A1 N,N-SUBSTITUTED 3-AMINOPYRROLIDINE COMPOUNDS USEFUL AS MONOAMINES REUPTAKE INHIBITORS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2008-01-30 EP disclosed
WO-2006121218-A1 N,N-SUBSTITUTED 3-AMINOPYRROLIDINE COMPOUNDS USEFUL AS MONOAMINES REUPTAKE INHIBITORS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-11-16 WO disclosed