SCHEMBL16401778

SCHEMBL16401778

O=C(NC1CCCCC1)OCc1cn(CCc2ccccc2)nn1

nearest known ligand 0.81

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 5/20 0.53
ALDH1A1 P00352 2/20 0.48
GBA1 P04062 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
GAA P10253 1/20 0.46
HPGD P15428 1/20 0.45
TSHR P16473 2/20 0.45
EPHX2 P34913 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
NPC1 O15118 1/20 0.45
TP53 P04637 1/20 0.45
RAB9A P51151 1/20 0.45

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
SCHEMBL16401697 0.89 EPHX1 (0.55) EPHX1ALDH1A1MEN1KMT2AGAA
SCHEMBL16401690 0.81 MEN1 (0.59) EPHX1ALDH1A1MEN1KMT2ANPC1
SCHEMBL16401738 0.81 SMN1; SMN2 (0.51) EPHX1ALDH1A1SMN1; SMN2
SCHEMBL16401827 0.80 HDAC1 (0.53) EPHX1
SCHEMBL16401565 0.80 HPGD (0.51) EPHX1HPGDSMN1; SMN2
SCHEMBL16401633 0.80 HDAC1 (0.52) EPHX1MEN1KMT2AHPGD
SCHEMBL16401890 0.79 ACHE (0.50) EPHX1MEN1KMT2AHPGDSMN1; SMN2
SCHEMBL16401898 0.78 CYP19A1 (0.51) EPHX1ALDH1A1RAB9A
SCHEMBL16401555 0.78 ACHE (0.43) EPHX1ALDH1A1GAATSHR
Methyl Alcohol SCHEMBL6780968 0.77 EPHX1 (0.80) EPHX1ALDH1A1MEN1KMT2AGAA

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