SCHEMBL16401690

SCHEMBL16401690

O=C(NC1CCCCC1)OCc1cn(-c2ccccc2)nn1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.59
KMT2A Q03164 3/20 0.59
POLB P06746 3/20 0.59
NPC1 O15118 1/20 0.57
KDM4E B2RXH2 1/20 0.56
ALDH1A1 P00352 1/20 0.56
MAPT P10636 2/20 0.56
EPHX1 P07099 3/20 0.55
GLA P06280 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.54
CYP1A2 P05177 2/20 0.51
CYP2D6 P10635 2/20 0.51
CYP2C19 P33261 2/20 0.51
CYP2C9 P11712 1/20 0.51
APP P05067 1/20 0.50
CYP3A4 P08684 1/20 0.50

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
SCHEMBL16401797 0.89 EPHX1 (0.47) MEN1KMT2APOLBNPC1KDM4E
SCHEMBL16401891 0.86 CA9 (0.50) MEN1KMT2APOLBNPC1MAPT
SCHEMBL16401697 0.83 EPHX1 (0.55) MEN1KMT2AALDH1A1EPHX1
SCHEMBL16401898 0.82 CYP19A1 (0.51) ALDH1A1EPHX1
SCHEMBL16401778 0.81 EPHX1 (0.53) MEN1KMT2ANPC1ALDH1A1EPHX1
SCHEMBL16401633 0.78 HDAC1 (0.52) MEN1KMT2AEPHX1CYP1A2CYP2D6
SCHEMBL16401548 0.76 ALDH1A1 (0.44) ALDH1A1EPHX1GLA
SCHEMBL16401475 0.76 CYP1A2 (0.47) MEN1KMT2APOLBNPC1ALDH1A1
SCHEMBL16401827 0.76 HDAC1 (0.53) EPHX1
SCHEMBL31434856 0.76 NPC1 (0.73) MEN1KMT2APOLBNPC1KDM4E

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