SCHEMBL16401779

SCHEMBL16401779

O=C(NC1CCCCC1)OCc1nn[nH]c1CCc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 6/20 0.54
ALDH1A1 P00352 4/20 0.49
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
RAB9A P51151 3/20 0.47
NPC1 O15118 2/20 0.47
GAA P10253 1/20 0.47
TSHR P16473 2/20 0.46
EPHX2 P34913 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
TP53 P04637 1/20 0.46
MTNR1A P48039 1/20 0.43
MTNR1B P49286 1/20 0.43
TAAR1 Q96RJ0 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
SCHEMBL16401700 0.90 EPHX1 (0.55) EPHX1ALDH1A1MEN1KMT2ARAB9A
SCHEMBL16401739 0.83 EPHX1 (0.48) EPHX1ALDH1A1MEN1KMT2ARAB9A
SCHEMBL16401693 0.81 EPHX1 (0.60) EPHX1ALDH1A1MEN1KMT2ARAB9A
SCHEMBL16401566 0.81 EPHX1 (0.44) EPHX1ALDH1A1MEN1KMT2ARAB9A
SCHEMBL16401828 0.81 EPHX1 (0.50) EPHX1ALDH1A1MEN1KMT2ARAB9A
SCHEMBL16401635 0.81 EPHX1 (0.49) EPHX1ALDH1A1MEN1KMT2ARAB9A
SCHEMBL16401896 0.80 EPHX1 (0.47) EPHX1MEN1KMT2ARAB9ANPC1
SCHEMBL16401900 0.79 EPHX1 (0.51) EPHX1ALDH1A1MEN1KMT2ARAB9A
SCHEMBL8393719 0.77 EPHX1 (0.84) EPHX1ALDH1A1MEN1KMT2ARAB9A
SCHEMBL1424064 0.77 EPHX1 (0.84) EPHX1ALDH1A1MEN1KMT2ARAB9A

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
WO-2015007613-A1 O-ALKYL TRIAZOLYL CARBAMATES AS INHIBITORS OF FATTY ACID AMIDE HYDROLASE (FAAH) FONDAZIONE ISTITUTO ITALIANO DI TECNOLOGIA (IT) 2015-01-22 WO claimed
WO-2015007613-A1 O-ALKYL TRIAZOLYL CARBAMATES AS INHIBITORS OF FATTY ACID AMIDE HYDROLASE (FAAH) FONDAZIONE ISTITUTO ITALIANO DI TECNOLOGIA (IT) 2015-01-22 WO disclosed