SCHEMBL3482665

SCHEMBL3482665

COc1ccccc1N1CCN(C(CCOC(N)=O)c2ccc(Cl)cc2)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 6/20 0.50
MAPK1 P28482 1/20 0.50
NPC1 O15118 2/20 0.49
DRD2 P14416 1/20 0.49
DRD4 P21917 1/20 0.49
DRD3 P35462 1/20 0.49
NPSR1 Q6W5P4 2/20 0.48
TSHR P16473 2/20 0.48
USP2 O75604 2/20 0.48
HTT P42858 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
MC4R P32245 1/20 0.48
TP53 P04637 3/20 0.48
GAA P10253 1/20 0.48
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C19 P33261 1/20 0.46
CACNA1G O43497 1/20 0.46
ADRB2 P07550 1/20 0.46

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
SCHEMBL3482923 0.91 TP53 (0.50) LMNAMAPK1DRD2NPSR1TSHR
SCHEMBL3482318 0.87 CYP2C9 (0.42) LMNAMAPK1TP53ADRB2ADRB1
SCHEMBL3482937 0.82 KMT2A (0.50) LMNAMAPK1NPSR1HTTSMN1; SMN2
SCHEMBL3483116 0.81 MEN1 (0.50) DRD2DRD4DRD3NPSR1TSHR
SCHEMBL3482959 0.80 AOC3 (0.43) MC4RTP53ADRB2ADRB1ADRB3
SCHEMBL2116383 0.77 ADRB1 (0.59) CACNA1GADRB1
SCHEMBL28729033 0.75 KDM4E (0.65) DRD2DRD4DRD3KMT2AMEN1
SCHEMBL3482900 0.73 KMT2A (0.52) LMNAMC4RTP53KMT2AMEN1
SCHEMBL28184983 0.73 BCL2A1 (0.49) NPSR1TSHRGAAKMT2AMEN1
SCHEMBL3483021 0.73 MC4R (0.46) LMNATSHRUSP2SMN1; SMN2MC4R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2150550-A1 NOVEL CARBAMOYLOXY ARYL ALKAN ARYLPIPERAZINE COMPOUND, PHARMACEUTICAL COMPOSITIONS COMPRISING THE COMPOUND AND METHOD FOR TREATING PAIN, ANXIETY AND DEPRESSION BY ADMINISTERING THE COMPOUND SK Holdings Co., Ltd. (KR) 2010-02-10 EP disclosed
WO-2008140197-A1 NOVEL CARBAMOYLOXY ARYL ALKAN ARYLPIPERAZINE COMPOUND, PHARMACEUTICAL COMPOSITIONS COMPRISING THE COMPOUND AND METHOD FOR TREATING PAIN, ANXIETY AND DEPRESSION BY ADMINISTERING THE COMPOUND SK HOLDINGS CO., LTD. (KR) 2008-11-20 WO disclosed