SCHEMBL14715731

SCHEMBL14715731

Cc1c(F)c(F)cc(N2CCN(CCC(OC(N)=O)c3ccccc3)CC2)c1F

nearest known ligand 0.72

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 1/20 0.58
HTR2A P28223 1/20 0.58
HTR2B P41595 1/20 0.58
SIGMAR1 Q99720 1/20 0.58

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
SCHEMBL2115758 0.84 ADRB1 (0.63) ADRB1HTR2AHTR2BSIGMAR1
SCHEMBL2114251 0.82 ADRB1 (0.66) ADRB1HTR2AHTR2BSIGMAR1
SCHEMBL2116102 0.81 ADRB1 (0.61) ADRB1HTR2AHTR2BSIGMAR1
SCHEMBL2117325 0.79 ADRB1 (0.64) ADRB1HTR2AHTR2BSIGMAR1
SCHEMBL2115398 0.79 ADRB1 (0.64) ADRB1HTR2AHTR2BSIGMAR1
SCHEMBL2116792 0.78 ADRB1 (0.56) ADRB1HTR2AHTR2BSIGMAR1
SCHEMBL2118281 0.78 HTR2B (0.70) ADRB1HTR2AHTR2BSIGMAR1
SCHEMBL2116255 0.78 ADRB1 (0.80) ADRB1HTR2AHTR2BSIGMAR1
SCHEMBL2117874 0.78 ADRB1 (0.66) ADRB1HTR2AHTR2BSIGMAR1
SCHEMBL3407135 0.78 ADRB1 (0.76) ADRB1HTR2AHTR2BSIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2150550-B1 NOVEL CARBAMOYLOXY ARYL ALKAN ARYLPIPERAZINE COMPOUND, PHARMACEUTICAL COMPOSITIONS COMPRISING THE COMPOUND AND METHOD FOR TREATING PAIN, ANXIETY AND DEPRESSION BY ADMINISTERING THE COMPOUND SK BIOPHARMACEUTICALS CO LTD (KR) 2013-02-27 EP disclosed