SCHEMBL3482899

SCHEMBL3482899

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

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 6/20 0.57
HTR1A P08908 1/20 0.50
TP53 P04637 1/20 0.46
THRB P10828 1/20 0.46
CACNA1A O00555 1/20 0.46
CACNA2D1 P54289 1/20 0.46
CACNB1 Q02641 1/20 0.46
ADRB1 P08588 1/20 0.46
HTR2A P28223 1/20 0.46
HTR2B P41595 1/20 0.46
SIGMAR1 Q99720 1/20 0.46
HTT P42858 2/20 0.44
MAPT P10636 1/20 0.44
LDHA P00338 1/20 0.44
LDHB P07195 1/20 0.44
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
KMT2A Q03164 1/20 0.43
GFER P55789 1/20 0.43
CYP2D6 P10635 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 0.89 KMT2A (0.52) CCR3TP53ADRB1HTR2AHTR2B
SCHEMBL3482937 0.87 KMT2A (0.50) CCR3TP53ADRB1HTR2AHTR2B
SCHEMBL3482303 0.85 HSD17B10 (0.51) CCR3ADRB1HTR2AHTR2BSIGMAR1
SCHEMBL3482768 0.83 GFER (0.48) CCR3ADRB1HTR2AHTR2BSIGMAR1
SCHEMBL3482588 0.82 ADRB1 (0.49) CCR3TP53ADRB1HTR2AHTR2B
SCHEMBL3483021 0.81 MC4R (0.46) CCR3TP53MAPTALDH1A1KMT2A
SCHEMBL3483019 0.80 MAPT (0.53) THRBADRB1HTR2AHTR2BSIGMAR1
SCHEMBL3482657 0.79 ADRB1 (0.48) CCR3TP53ADRB1HTR2AHTR2B
SCHEMBL3482581 0.77 ME2 (0.46) CCR3TP53MAPTKDM4EALDH1A1
SCHEMBL2114345 0.77 ADRB1 (0.76) HTR1AADRB1HTR2AHTR2BSIGMAR1

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