SCHEMBL3482937

SCHEMBL3482937

COc1ccc(N2CCN(C(CCOC(N)=O)c3ccc(Cl)cc3)CC2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.50
MEN1 O00255 1/20 0.50
MAPT P10636 3/20 0.48
SOD1 P00441 1/20 0.48
CCR3 P51677 1/20 0.48
LMNA P02545 3/20 0.48
ADRB1 P08588 1/20 0.48
HTR2A P28223 1/20 0.48
HTR2B P41595 1/20 0.48
SIGMAR1 Q99720 1/20 0.48
ALDH1A1 P00352 1/20 0.47
ALOX15 P16050 1/20 0.47
MAPK1 P28482 1/20 0.47
HTT P42858 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
TP53 P04637 1/20 0.46
GFER P55789 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45

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
SCHEMBL3482900 0.90 KMT2A (0.52) KMT2AMEN1MAPTCCR3LMNA
SCHEMBL3483019 0.88 MAPT (0.53) KMT2AMEN1MAPTLMNAADRB1
SCHEMBL3482899 0.87 CCR3 (0.57) KMT2AMAPTCCR3ADRB1HTR2A
SCHEMBL3482768 0.86 GFER (0.48) KMT2AMEN1MAPTCCR3LMNA
SCHEMBL3482303 0.84 HSD17B10 (0.51) KMT2AMAPTCCR3LMNAADRB1
SCHEMBL3482506 0.84 LMNA (0.49) KMT2AMEN1MAPTCCR3LMNA
SCHEMBL3482588 0.82 ADRB1 (0.49) KMT2AMEN1MAPTCCR3LMNA
SCHEMBL3482665 0.82 LMNA (0.50) KMT2AMEN1MAPTLMNAADRB1
SCHEMBL3483021 0.81 MC4R (0.46) KMT2AMEN1MAPTCCR3LMNA
SCHEMBL3482657 0.80 ADRB1 (0.48) KMT2AMEN1MAPTCCR3LMNA

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