SCHEMBL3483019

SCHEMBL3483019

COc1ccc(N2CCN(C(CCOC(N)=O)c3cccc(Cl)c3)CC2)cc1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.53
USP2 O75604 1/20 0.53
LMNA P02545 1/20 0.53
ADRB1 P08588 1/20 0.49
HTR2A P28223 1/20 0.49
HTR2B P41595 1/20 0.49
SIGMAR1 Q99720 1/20 0.49
HTT P42858 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
KMT2A Q03164 2/20 0.44
ALDH1A1 P00352 2/20 0.44
GFER P55789 2/20 0.44
MEN1 O00255 1/20 0.44
MAPK1 P28482 1/20 0.44
THRB P10828 1/20 0.43

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
SCHEMBL3482588 0.89 ADRB1 (0.49) MAPTUSP2LMNAADRB1HTR2A
SCHEMBL3482937 0.88 KMT2A (0.50) MAPTLMNAADRB1HTR2AHTR2B
SCHEMBL3482768 0.84 GFER (0.48) MAPTLMNAADRB1HTR2AHTR2B
SCHEMBL3482303 0.83 HSD17B10 (0.51) MAPTUSP2LMNAADRB1HTR2A
SCHEMBL3482506 0.82 LMNA (0.49) MAPTLMNAADRB1HTR2AHTR2B
SCHEMBL3482900 0.82 KMT2A (0.52) MAPTLMNAADRB1HTR2AHTR2B
SCHEMBL3482899 0.80 CCR3 (0.57) MAPTADRB1HTR2AHTR2BSIGMAR1
SCHEMBL3482657 0.78 ADRB1 (0.48) MAPTLMNAADRB1HTR2AHTR2B
SCHEMBL2114511 0.78 ADRB1 (0.78) ADRB1HTR2AHTR2BSIGMAR1
SCHEMBL3482672 0.76 MAPT (0.50) MAPTLMNAADRB1HTR2AHTR2B

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