SCHEMBL16401697

SCHEMBL16401697

O=C(NC1CCCCC1)OCc1cn(Cc2ccccc2)nn1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.55
ALDH1A1 P00352 3/20 0.50
CYP19A1 P11511 2/20 0.50
HSP90AB1 P08238 1/20 0.50
ACHE P22303 2/20 0.49
HDAC1 Q13547 1/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
GAA P10253 1/20 0.48

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
SCHEMBL16401778 0.89 EPHX1 (0.53) EPHX1ALDH1A1MEN1KMT2AGAA
SCHEMBL16401738 0.89 SMN1; SMN2 (0.51) EPHX1ALDH1A1CYP19A1ACHEHDAC1
SCHEMBL16401890 0.89 ACHE (0.50) EPHX1CYP19A1ACHEHDAC1MEN1
SCHEMBL16401827 0.88 HDAC1 (0.53) EPHX1HSP90AB1ACHEHDAC1
SCHEMBL16401565 0.88 HPGD (0.51) EPHX1
SCHEMBL16401555 0.85 ACHE (0.43) EPHX1ALDH1A1ACHEGAA
SCHEMBL16401633 0.85 HDAC1 (0.52) EPHX1HDAC1MEN1KMT2A
SCHEMBL16401690 0.83 MEN1 (0.59) EPHX1ALDH1A1MEN1KMT2A
SCHEMBL16401601 0.82 EPHX1 (0.44) EPHX1ALDH1A1
SCHEMBL16401817 0.80 EPHX1 (0.43) EPHX1ALDH1A1ACHEMEN1KMT2A

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 1 patent. 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 disclosed