SCHEMBL16401475

SCHEMBL16401475

COc1cccc(-n2cc(CCOC(=O)NC3CCCCC3)nn2)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C19 P33261 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
HPGD P15428 2/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
BCHE P06276 1/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
KDM1A O60341 1/20 0.46
POLB P06746 1/20 0.46
SLC6A9 P48067 1/20 0.45
FAAH O00519 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.44
ALDH1A1 P00352 1/20 0.44
TP53 P04637 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
CA2 P00918 2/20 0.44
CA9 Q16790 2/20 0.44

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
SCHEMBL16401891 0.90 CA9 (0.50) CYP1A2CYP3A4CYP2C19SMN1; SMN2HPGD
SCHEMBL16401797 0.87 EPHX1 (0.47) SMN1; SMN2MEN1KMT2ANPC1RAB9A
SCHEMBL16401885 0.86 POLB (0.50) CYP1A2CYP3A4CYP2C19SMN1; SMN2KMT2A
SCHEMBL16401690 0.76 MEN1 (0.59) CYP1A2CYP3A4CYP2C19MEN1KMT2A
SCHEMBL16401738 0.76 SMN1; SMN2 (0.51) SMN1; SMN2ALDH1A1
SCHEMBL16401477 0.75 POLB (0.49) CYP1A2CYP3A4CYP2C19SMN1; SMN2HPGD
SCHEMBL23346078 0.70 NOTUM (0.60) BCHEKDM1ACA2CA9CA12
SCHEMBL27423391 0.69 KDM1A (0.54) BCHEKDM1ACA2CA9CA12
SCHEMBL28167508 0.69 CA9 (0.57) BCHEKDM1ACA2CA9CA12
SCHEMBL16401479 0.68 SMN1; SMN2 (0.48) CYP1A2CYP3A4CYP2C19SMN1; SMN2HPGD

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