SCHEMBL7696980

SCHEMBL7696980

OC1CN(c2ccccc2)C1c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC18A3 Q16572 8/20 0.40
MAPT P10636 2/20 0.39
MAPK1 P28482 2/20 0.39
HTT P42858 1/20 0.39
NPSR1 Q6W5P4 1/20 0.38
NOTUM Q6P988 1/20 0.37
ESR1 P03372 1/20 0.36
ESR2 Q92731 1/20 0.36
GBA1 P04062 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
FUCA1 P04066 2/20 0.35
CYP2D6 P10635 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
TSHR P16473 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
Hydrochloric Acid SCHEMBL7038087 0.98 SLC18A3 (0.39) SLC18A3MAPTMAPK1HTTNPSR1
SCHEMBL6271908 0.74 MAPT (0.43) MAPTMAPK1HTTNPSR1ESR1
SCHEMBL4019885 0.73 SLC18A3 (0.42) SLC18A3MAPTMAPK1HTTNPSR1
SCHEMBL15457811 0.71 SLC18A3 (0.37) SLC18A3MAPTMAPK1HTTNPSR1
SCHEMBL3231048 0.70 L3MBTL1 (0.46) MAPTMAPK1HTTNPSR1ESR1
SCHEMBL21276506 0.68 USP30 (0.40) SLC18A3MAPTMAPK1HTTNPSR1
SCHEMBL6621014 0.67 BPTF (0.54) SLC18A3MAPK1NOTUMMEN1KMT2A
SCHEMBL16254045 0.67 MAPT (0.39) SLC18A3MAPTMAPK1HTTNPSR1
SCHEMBL2775831 0.66 SMN1; SMN2 (0.41) MAPTMAPK1HTTNPSR1ESR1
SCHEMBL2775830 0.66 SMN1; SMN2 (0.41) MAPTMAPK1HTTNPSR1ESR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106008303-A Preparation method of 1-Boc-3-hydroxyl azetidine medical intermediate 苏州艾缇克药物化学有限公司 2016-10-12 CN claimed
CN-106008303-A Preparation method of 1-Boc-3-hydroxyl azetidine medical intermediate 苏州艾缇克药物化学有限公司 2016-10-12 CN disclosed
CN-106008303-A Preparation method of 1-Boc-3-hydroxyl azetidine medical intermediate 苏州艾缇克药物化学有限公司 2016-10-12 CN disclosed
WO-2002028829-A2 PEPTIDE DEFORMYLASE INHIBITORS QUESTCOR PHARMACEUTICALS, INC. (US) 2002-04-11 WO disclosed