SCHEMBL16401693

SCHEMBL16401693

O=C(NC1CCCCC1)OCc1nn[nH]c1-c1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 3/20 0.60
ALDH1A1 P00352 3/20 0.46
RAB9A P51151 1/20 0.46
FAAH O00519 1/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
LHCGR P22888 1/20 0.44
GAA P10253 1/20 0.44
CCNA2 P20248 1/20 0.43
CDK2 P24941 1/20 0.43
KDR P35968 1/20 0.43
PLK1 P53350 1/20 0.43
CCNA1 P78396 1/20 0.43
TSHR P16473 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
SCHEMBL16401549 0.91 EPHX1 (0.54) EPHX1ALDH1A1RAB9AFAAHLHCGR
SCHEMBL16401892 0.86 POLB (0.49) EPHX1ALDH1A1RAB9AFAAHMEN1
SCHEMBL16401909 0.83 EPHX1 (0.45) EPHX1ALDH1A1RAB9AFAAHMEN1
SCHEMBL16401700 0.82 EPHX1 (0.55) EPHX1ALDH1A1RAB9AMEN1KMT2A
SCHEMBL16401779 0.81 EPHX1 (0.54) EPHX1ALDH1A1RAB9AMEN1KMT2A
SCHEMBL16401900 0.81 EPHX1 (0.51) EPHX1ALDH1A1RAB9AMEN1KMT2A
SCHEMBL16401477 0.77 POLB (0.49) ALDH1A1RAB9AFAAHMEN1KMT2A
SCHEMBL16401635 0.77 EPHX1 (0.49) EPHX1ALDH1A1RAB9AMEN1KMT2A
SCHEMBL12196005 0.75 EPHX1 (1.00) EPHX1ALDH1A1RAB9AFAAHMEN1
SCHEMBL16401828 0.75 EPHX1 (0.50) EPHX1ALDH1A1RAB9AFAAHMEN1

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