SCHEMBL27755488

SCHEMBL27755488

CCCCCCC(CC)[C@H]1OCCNC1C

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.32
SLC6A2 P23975 1/20 0.31
ADRA1A P35348 1/20 0.31
HTR2B P41595 1/20 0.31
SLC6A3 Q01959 1/20 0.31
THRB P10828 1/20 0.31
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL27755474 1.00 EPHX1 (0.32) EPHX1SLC6A2ADRA1AHTR2BSLC6A3
SCHEMBL27776054 0.84 EPHX1 (0.31) EPHX1THRB
SCHEMBL27776072 0.84 EPHX1 (0.31) EPHX1THRB
SCHEMBL9549207 0.80 EPHX1 (0.34) EPHX1THRBALDH1A1
SCHEMBL4803104 0.72 THRB (0.37) THRBALDH1A1
SCHEMBL18980967 0.71 SLC6A2 (0.34) EPHX1SLC6A2SLC6A3THRBALDH1A1
SCHEMBL24298445 0.70 DNM1 (0.37) EPHX1ALDH1A1
SCHEMBL15560285 0.70 THRB (0.42) EPHX1THRBALDH1A1
SCHEMBL7060090 0.69 OPRM1 (0.31) EPHX1
SCHEMBL27658433 0.69 SLC6A2 (0.35) SLC6A2SLC6A3THRBALDH1A1

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
CN-101528225-B 2-aminobenzoxazole carboxamides as 5HT3 modulators ALBANY MOLECULAR RES INC 2013-07-17 CN disclosed
CN-101528225-A 2-aminobenzoxazole carboxamides as 5HT3 modulators AMR TECHNOLOGY INC (US) 2009-09-09 CN disclosed