SCHEMBL3482768

SCHEMBL3482768

COc1ccc(N2CCN(C(CCOC(N)=O)c3ccc(C)c(C)c3)CC2)cc1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GFER P55789 2/20 0.48
KMT2A Q03164 2/20 0.48
MAPT P10636 6/20 0.48
ADRB1 P08588 2/20 0.46
HTR2A P28223 1/20 0.46
HTR2B P41595 1/20 0.46
SIGMAR1 Q99720 1/20 0.46
LMNA P02545 4/20 0.46
ALDH1A1 P00352 3/20 0.44
CCR3 P51677 1/20 0.44
GAA P10253 1/20 0.43
ADRB2 P07550 1/20 0.43
ADRB3 P13945 1/20 0.43
ADRA1D P25100 1/20 0.43
ADRA1A P35348 1/20 0.43
ADRA1B P35368 1/20 0.43
MEN1 O00255 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
SCHEMBL3482900 0.86 KMT2A (0.52) KMT2AMAPTADRB1HTR2AHTR2B
SCHEMBL3482937 0.86 KMT2A (0.50) GFERKMT2AMAPTADRB1HTR2A
SCHEMBL3482588 0.84 ADRB1 (0.49) GFERKMT2AMAPTADRB1HTR2A
SCHEMBL3483019 0.84 MAPT (0.53) GFERKMT2AMAPTADRB1HTR2A
SCHEMBL3482899 0.83 CCR3 (0.57) GFERKMT2AMAPTADRB1HTR2A
SCHEMBL3482303 0.82 HSD17B10 (0.51) GFERKMT2AMAPTADRB1HTR2A
SCHEMBL3482657 0.78 ADRB1 (0.48) KMT2AMAPTADRB1HTR2AHTR2B
SCHEMBL3482506 0.78 LMNA (0.49) KMT2AMAPTADRB1HTR2AHTR2B
SCHEMBL3483021 0.77 MC4R (0.46) KMT2AMAPTLMNAALDH1A1CCR3
SCHEMBL2115092 0.77 ADRB1 (0.74) KMT2AADRB1HTR2AHTR2BSIGMAR1

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