SCHEMBL16401549

SCHEMBL16401549

O=C(NC1CCCCC1)OCCc1nn[nH]c1-c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 4/20 0.54
SMN1; SMN2 Q16637 1/20 0.47
RAB9A P51151 2/20 0.46
ALDH1A1 P00352 1/20 0.46
FAAH O00519 1/20 0.46
LHCGR P22888 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

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
SCHEMBL16401693 0.91 EPHX1 (0.60) EPHX1RAB9AALDH1A1FAAHLHCGR
SCHEMBL16401477 0.86 POLB (0.49) SMN1; SMN2RAB9AALDH1A1FAAH
SCHEMBL16401739 0.84 EPHX1 (0.48) EPHX1SMN1; SMN2RAB9AALDH1A1
SCHEMBL16401909 0.83 EPHX1 (0.45) EPHX1SMN1; SMN2RAB9AALDH1A1FAAH
SCHEMBL16401892 0.77 POLB (0.49) EPHX1SMN1; SMN2RAB9AALDH1A1FAAH
SCHEMBL16401779 0.77 EPHX1 (0.54) EPHX1SMN1; SMN2RAB9AALDH1A1
SCHEMBL7181896 0.76 EPHX1 (0.60) EPHX1SMN1; SMN2RAB9AALDH1A1
SCHEMBL16401700 0.76 EPHX1 (0.55) EPHX1SMN1; SMN2RAB9AALDH1A1
SCHEMBL16401617 0.75 FAAH (0.46) EPHX1SMN1; SMN2RAB9AALDH1A1FAAH
SCHEMBL16401900 0.75 EPHX1 (0.51) EPHX1RAB9AALDH1A1

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